2-[2-(2-methoxyphenyl)acetyl]benzoic acid

C16H14O4 — CID 83743438

IUPAC2-[2-(2-methoxyphenyl)acetyl]benzoic acid
SMILESCOc1ccccc1CC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H14O4/c1-20-15-9-5-2-6-11(15)10-14(17)12-7-3-4-8-13(12)16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyDFFLQPDSGBYAHM-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.82
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)acetyl]benzoic acid

2-[2-(2-methoxyphenyl)acetyl]benzoic acid (PubChem CID 83743438) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)acetyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)acetyl]benzoic acid
PubChem CID83743438
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-[2-(2-methoxyphenyl)acetyl]benzoic acid
SMILESCOc1ccccc1CC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H14O4/c1-20-15-9-5-2-6-11(15)10-14(17)12-7-3-4-8-13(12)16(18)19/h2-9H,10H2,1H3,(H,18,19)
InChIKeyDFFLQPDSGBYAHM-UHFFFAOYSA-N
XLogP2.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 150707382
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
CID 81453841
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)acetyl]benzoic acid?
The IUPAC name of 2-[2-(2-methoxyphenyl)acetyl]benzoic acid (CID 83743438) is 2-[2-(2-methoxyphenyl)acetyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)acetyl]benzoic acid?
The canonical SMILES for 2-[2-(2-methoxyphenyl)acetyl]benzoic acid is COc1ccccc1CC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-methoxyphenyl)acetyl]benzoic acid?
The InChIKey is DFFLQPDSGBYAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-20-15-9-5-2-6-11(15)10-14(17)12-7-3-4-8-13(12)16(18)19/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-methoxyphenyl)acetyl]benzoic acid?
2-[2-(2-methoxyphenyl)acetyl]benzoic acid has a molecular weight of 270.28 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)acetyl]benzoic acid is sourced from PubChem (CID 83743438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).