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

C16H14O3 — CID 11572401

IUPAC2-[2-(3-acetylphenyl)phenyl]acetic acid
SMILESCC(=O)c1cccc(-c2ccccc2CC(=O)O)c1
InChIInChI=1S/C16H14O3/c1-11(17)12-6-4-7-13(9-12)15-8-3-2-5-14(15)10-16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyPWVUTGNXFSHQKY-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.18
Rot. Bonds4

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

2-[2-(3-acetylphenyl)phenyl]acetic acid (PubChem CID 11572401) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[2-(3-acetylphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-acetylphenyl)phenyl]acetic acid
PubChem CID11572401
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name2-[2-(3-acetylphenyl)phenyl]acetic acid
SMILESCC(=O)c1cccc(-c2ccccc2CC(=O)O)c1
InChIInChI=1S/C16H14O3/c1-11(17)12-6-4-7-13(9-12)15-8-3-2-5-14(15)10-16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyPWVUTGNXFSHQKY-UHFFFAOYSA-N
XLogP3.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-acetylphenyl)benzoic acid
CID 2756265
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
1-[3-[2-(methylamino)phenyl]phenyl]ethanone
CID 59454304
2-[2-(3,4-dimethylphenyl)phenyl]acetic acid
CID 82107017
1-azulen-2-ylethanone
CID 15255141
2-[3-[2-[3-(carboxymethyl)phenyl]phenyl]phenyl]acetic acid
CID 118456825
ethane;tetrakis(pentane);bis(1-(3-phenylphenyl)ethanone);propane;dihydrate
CID 160571189
(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide
CID 170877618
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
3-[2-[(dibenzylamino)methyl]phenyl]benzoic acid
CID 68518808
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetylphenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-acetylphenyl)phenyl]acetic acid (CID 11572401) is 2-[2-(3-acetylphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-acetylphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-acetylphenyl)phenyl]acetic acid is CC(=O)c1cccc(-c2ccccc2CC(=O)O)c1.
What is the InChIKey of 2-[2-(3-acetylphenyl)phenyl]acetic acid?
The InChIKey is PWVUTGNXFSHQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11(17)12-6-4-7-13(9-12)15-8-3-2-5-14(15)10-16(18)19/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-[2-(3-acetylphenyl)phenyl]acetic acid?
2-[2-(3-acetylphenyl)phenyl]acetic acid has a molecular weight of 254.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetylphenyl)phenyl]acetic acid is sourced from PubChem (CID 11572401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).