2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid

C16H14O4 — CID 153222498

IUPAC2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Cc1cccc(CO)c1
InChIInChI=1S/C16H14O4/c17-10-12-5-3-4-11(8-12)9-15(18)13-6-1-2-7-14(13)16(19)20/h1-8,17H,9-10H2,(H,19,20)
InChIKeyWNYJNMWFWUYSJA-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.30
Rot. Bonds5

About 2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid

2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid (PubChem CID 153222498) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid
PubChem CID153222498
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Cc1cccc(CO)c1
InChIInChI=1S/C16H14O4/c17-10-12-5-3-4-11(8-12)9-15(18)13-6-1-2-7-14(13)16(19)20/h1-8,17H,9-10H2,(H,19,20)
InChIKeyWNYJNMWFWUYSJA-UHFFFAOYSA-N
XLogP2.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2-carboxyphenyl)-2-oxoethyl]-2-fluorobenzoic acid
CID 153291500
2-[2-[3-[[benzylsulfonyl(methyl)amino]methyl]phenyl]acetyl]benzoic acid
CID 157207538
2-[2-[4-(2-hydroxyacetyl)phenyl]acetyl]benzoic acid
CID 148651840
2-[2-(3-acetyl-4-fluorophenyl)acetyl]benzoic acid
CID 157251929
methanediol;phthalic acid
CID 70525231
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
2-[4-(hydroxymethyl)phenyl]-1-(2-hydroxyphenyl)ethanone
CID 161011809
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
CID 10740738
2-[3-(hydroxymethyl)phenyl]acetohydrazide
CID 153495753
2-[2-[4-(3-amino-3-oxopropyl)phenyl]acetyl]benzoic acid
CID 161255029

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid?
The IUPAC name of 2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid (CID 153222498) is 2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid.
What is the SMILES notation for 2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid?
The canonical SMILES for 2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid is O=C(O)c1ccccc1C(=O)Cc1cccc(CO)c1.
What is the InChIKey of 2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid?
The InChIKey is WNYJNMWFWUYSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-10-12-5-3-4-11(8-12)9-15(18)13-6-1-2-7-14(13)16(19)20/h1-8,17H,9-10H2,(H,19,20).
What are the key properties of 2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid?
2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid has a molecular weight of 270.28 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid is sourced from PubChem (CID 153222498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).