2-(3-benzoyl-4-hydroxyphenyl)acetic acid

C15H12O4 — CID 91883998

IUPAC2-(3-benzoyl-4-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C15H12O4/c16-13-7-6-10(9-14(17)18)8-12(13)15(19)11-4-2-1-3-5-11/h1-8,16H,9H2,(H,17,18)
InChIKeyLFGAYMVIZKPOLX-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.25
Rot. Bonds4

About 2-(3-benzoyl-4-hydroxyphenyl)acetic acid

2-(3-benzoyl-4-hydroxyphenyl)acetic acid (PubChem CID 91883998) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(3-benzoyl-4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-benzoyl-4-hydroxyphenyl)acetic acid
PubChem CID91883998
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-(3-benzoyl-4-hydroxyphenyl)acetic acid
SMILESO=C(O)Cc1ccc(O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C15H12O4/c16-13-7-6-10(9-14(17)18)8-12(13)15(19)11-4-2-1-3-5-11/h1-8,16H,9H2,(H,17,18)
InChIKeyLFGAYMVIZKPOLX-UHFFFAOYSA-N
XLogP2.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
2-(3-benzoyl-4-cyanophenyl)acetic acid
CID 91883994
2-(3,4-dihydroxyphenyl)acetic acid
CID 547
[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethanone
CID 15262738
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
2-[2-(aminomethyl)-6-benzoyl-3-hydroxyphenyl]acetic acid
CID 175032473
3-benzoyl-4-hydroxybenzenesulfonyl chloride
CID 175061802
[4-[(3-benzoyl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid
CID 15942271
(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-phenylmethanone
CID 70476179
1-(5-ethyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
CID 11747586
[5-[[4-[[dihydroxy(methylidene)-λ5-phosphanyl]methoxy]-2,6-dimethylphenyl]methyl]-2-hydroxyphenyl]-phenylmethanone
CID 129060862

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3-benzoyl-4-hydroxyphenyl)acetic acid (CID 91883998) is 2-(3-benzoyl-4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-benzoyl-4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3-benzoyl-4-hydroxyphenyl)acetic acid is O=C(O)Cc1ccc(O)c(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoyl-4-hydroxyphenyl)acetic acid?
The InChIKey is LFGAYMVIZKPOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-13-7-6-10(9-14(17)18)8-12(13)15(19)11-4-2-1-3-5-11/h1-8,16H,9H2,(H,17,18).
What are the key properties of 2-(3-benzoyl-4-hydroxyphenyl)acetic acid?
2-(3-benzoyl-4-hydroxyphenyl)acetic acid has a molecular weight of 256.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 91883998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).