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605-55-0 molecular structure
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phenanthren-2-ol

ChemBase ID: 176438
Molecular Formular: C14H10O
Molecular Mass: 194.2286
Monoisotopic Mass: 194.07316494
SMILES and InChIs

SMILES:
c1ccc2c(c1)c1c(cc2)cc(cc1)O
Canonical SMILES:
Oc1ccc2c(c1)ccc1c2cccc1
InChI:
InChI=1S/C14H10O/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9,15H
InChIKey:
YPWLZGITFNGGKW-UHFFFAOYSA-N

Cite this record

CBID:176438 http://www.chembase.cn/molecule-176438.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
phenanthren-2-ol
IUPAC Traditional name
2-hydroxyphenanthrene
Synonyms
2-Phenanthrenol
2-Hydroxyphenanthrene
NSC 2576
2-Phenanthrol
CAS Number
605-55-0
PubChem SID
164232348
PubChem CID
69061

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P295005 external link Add to cart
PubChem 69061 external link
Data Source Data ID Price
TRC
P295005 external link Add to cart Please log in.
Data Source Data ID
PubChem 69061 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.773524  H Acceptors
H Donor LogD (pH = 5.5) 3.648611 
LogD (pH = 7.4) 3.6468112  Log P 3.648634 
Molar Refractivity 60.9393 cm3 Polarizability 26.207838 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
DMSO expand Show data source
Apperance
Off-White to Pale Yellow Solid expand Show data source
Melting Point
146-149°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P295005 external link
A metabolite of Phenanthrene.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Boyland, E., et al.: Biochem. J., 84, 564 (1962)
  • • Hamada, S., et al.: Mutat. Res., 495, 127 (1962)
  • • Shimada, T., et al.: Drug Metab. Dispos., 29, 1176 (1962)
  • • Moennikes, O., et al.: Cancer Res., 64, 4707 (1962)
  • • Albig, A., et al.: Mol. Biol. Cell., 16, 60
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PATENTS

PATENTS

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INTERNET

INTERNET

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