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

C22H18O4 — CID 118456825

IUPAC2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccccc2-c2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C22H18O4/c23-21(24)13-15-5-3-7-17(11-15)19-9-1-2-10-20(19)18-8-4-6-16(12-18)14-22(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26)
InChIKeyXFSPYBXLUVDPQL-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.27
Rot. Bonds6

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

2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid (PubChem CID 118456825) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
PubChem CID118456825
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(-c2ccccc2-c2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C22H18O4/c23-21(24)13-15-5-3-7-17(11-15)19-9-1-2-10-20(19)18-8-4-6-16(12-18)14-22(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26)
InChIKeyXFSPYBXLUVDPQL-UHFFFAOYSA-N
XLogP4.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
CID 70011966
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[3-(2-chloro-4-fluorophenyl)phenyl]acetic acid
CID 155508313
2-[3-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]acetic acid
CID 122558233
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496
2-(3-benzylphenyl)acetic acid
CID 22590987
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)phenyl]acetic acid
CID 155912996
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid (CID 118456825) is 2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid is O=C(O)Cc1cccc(-c2ccccc2-c2cccc(CC(=O)O)c2)c1.
What is the InChIKey of 2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid?
The InChIKey is XFSPYBXLUVDPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c23-21(24)13-15-5-3-7-17(11-15)19-9-1-2-10-20(19)18-8-4-6-16(12-18)14-22(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26).
What are the key properties of 2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid?
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid has a molecular weight of 346.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 118456825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).