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60277-22-7 molecular structure
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2-[4-(4-methoxyphenyl)phenyl]acetic acid

ChemBase ID: 800350
Molecular Formular: C15H14O3
Molecular Mass: 242.26986
Monoisotopic Mass: 242.09429431
SMILES and InChIs

SMILES:
C(C(=O)O)c1ccc(cc1)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)c1ccc(cc1)CC(=O)O
InChI:
InChI=1S/C15H14O3/c1-18-14-8-6-13(7-9-14)12-4-2-11(3-5-12)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKey:
KJOHEDXEFMKOEF-UHFFFAOYSA-N

Cite this record

CBID:800350 http://www.chembase.cn/molecule-800350.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(4-methoxyphenyl)phenyl]acetic acid
IUPAC Traditional name
[4-(4-methoxyphenyl)phenyl]acetic acid
Synonyms
(4'-Methoxy-biphenyl-4-yl)-acetic acid
CAS Number
60277-22-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O15824 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O15824 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.476646  H Acceptors
H Donor LogD (pH = 5.5) 2.0392253 
LogD (pH = 7.4) 0.27277857  Log P 3.1005483 
Molar Refractivity 68.965 cm3 Polarizability 27.993765 Å3
Polar Surface Area 46.53 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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