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162224428 molecular structure
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2-hydroxy-5-[(4-hydroxyphenyl)methyl]-5-methoxycyclopent-2-en-1-one

ChemBase ID: 130144
Molecular Formular: C13H14O4
Molecular Mass: 234.24786
Monoisotopic Mass: 234.08920893
SMILES and InChIs

SMILES:
COC1(CC=C(C1=O)O)Cc1ccc(cc1)O
Canonical SMILES:
COC1(CC=C(C1=O)O)Cc1ccc(cc1)O
InChI:
InChI=1S/C13H14O4/c1-17-13(7-6-11(15)12(13)16)8-9-2-4-10(14)5-3-9/h2-6,14-15H,7-8H2,1H3
InChIKey:
UJDWQMHSONZRPQ-UHFFFAOYSA-N

Cite this record

CBID:130144 http://www.chembase.cn/molecule-130144.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-5-[(4-hydroxyphenyl)methyl]-5-methoxycyclopent-2-en-1-one
IUPAC Traditional name
2-hydroxy-5-[(4-hydroxyphenyl)methyl]-5-methoxycyclopent-2-en-1-one
Synonyms
Vidalenolone
PubChem SID
162224428
PubChem CID
10857367
636986
Chemspider ID
552660
Wikipedia Title
Vidalenolone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 64.2637 cm3 Polarizability 24.252266 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 8.665577 
H Acceptors H Donor
LogD (pH = 5.5) 2.0800827  LogD (pH = 7.4) 2.0573094 
Log P 2.080379 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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