2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid

C16H14O4 — CID 70011966

IUPAC2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
SMILESCOC(=O)c1ccccc1-c1cccc(CC(=O)O)c1
InChIInChI=1S/C16H14O4/c1-20-16(19)14-8-3-2-7-13(14)12-6-4-5-11(9-12)10-15(17)18/h2-9H,10H2,1H3,(H,17,18)
InChIKeyORGPJBFCAXDWEF-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.77
Rot. Bonds4

About 2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid

2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid (PubChem CID 70011966) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
PubChem CID70011966
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
SMILESCOC(=O)c1ccccc1-c1cccc(CC(=O)O)c1
InChIInChI=1S/C16H14O4/c1-20-16(19)14-8-3-2-7-13(14)12-6-4-5-11(9-12)10-15(17)18/h2-9H,10H2,1H3,(H,17,18)
InChIKeyORGPJBFCAXDWEF-UHFFFAOYSA-N
XLogP2.77
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
2-[3-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]acetic acid
CID 122558233
methyl 2-[3-(chloromethyl)-5-(2-methoxycarbonylphenyl)phenyl]benzoate
CID 122364093
methyl 2-[3-(2-phenylpropan-2-yl)phenyl]benzoate
CID 91807983
2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
CID 68872970
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
methyl 2-(3-nitrophenyl)benzoate
CID 11708670
methyl 2-triphenylen-2-ylbenzoate
CID 142724319
methyl 2-hydroxy-3-(2-phenylmethoxycarbonylphenyl)benzoate
CID 169094954
methyl 2-[4-(phenylsulfanylmethyl)phenyl]benzoate
CID 141275398
methyl 2-(1-phenylisoquinolin-4-yl)benzoate
CID 147957016
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid (CID 70011966) is 2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid is COC(=O)c1ccccc1-c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid?
The InChIKey is ORGPJBFCAXDWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-20-16(19)14-8-3-2-7-13(14)12-6-4-5-11(9-12)10-15(17)18/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid?
2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid has a molecular weight of 270.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid is sourced from PubChem (CID 70011966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).