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100306-33-0 molecular structure
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(1R)-3-chloro-1-phenylpropan-1-ol

ChemBase ID: 797379
Molecular Formular: C9H11ClO
Molecular Mass: 170.63604
Monoisotopic Mass: 170.04984265
SMILES and InChIs

SMILES:
[C@H](CCCl)(O)c1ccccc1
Canonical SMILES:
ClCC[C@H](c1ccccc1)O
InChI:
InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1
InChIKey:
JZFUHAGLMZWKTF-SECBINFHSA-N

Cite this record

CBID:797379 http://www.chembase.cn/molecule-797379.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R)-3-chloro-1-phenylpropan-1-ol
IUPAC Traditional name
(1R)-3-chloro-1-phenylpropan-1-ol
Synonyms
(R)-3-Chloro-1-phenylpropan-1-ol
CAS Number
100306-33-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O7157 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O7157 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.444721  H Acceptors
H Donor LogD (pH = 5.5) 1.9901127 
LogD (pH = 7.4) 1.9901127  Log P 1.9901127 
Molar Refractivity 46.7528 cm3 Polarizability 18.280256 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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