4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid

C14H11FO3 — CID 53225310

IUPAC4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(F)cc1-c1ccccc1CO
InChIInChI=1S/C14H11FO3/c15-10-5-6-12(14(17)18)13(7-10)11-4-2-1-3-9(11)8-16/h1-7,16H,8H2,(H,17,18)
InChIKeyAWGBDJUEHNKAEN-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.68
Rot. Bonds3

About 4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid

4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid (PubChem CID 53225310) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid
PubChem CID53225310
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid
SMILESO=C(O)c1ccc(F)cc1-c1ccccc1CO
InChIInChI=1S/C14H11FO3/c15-10-5-6-12(14(17)18)13(7-10)11-4-2-1-3-9(11)8-16/h1-7,16H,8H2,(H,17,18)
InChIKeyAWGBDJUEHNKAEN-UHFFFAOYSA-N
XLogP2.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310
2-[2-(hydroxymethyl)phenyl]-4-nitrobenzoic acid
CID 53225331
4-fluoro-2-(2-methylsulfanylphenyl)benzoic acid
CID 53226362
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
2-ethyl-4-fluorobenzoic acid
CID 22101376
4-fluoro-2-(2-methylnaphthalen-1-yl)benzoic acid
CID 81431051
5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222732
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 173322333
2-benzyl-4-fluorobenzoic acid
CID 68960960
2-chloro-5-[2-(hydroxymethyl)phenyl]benzoic acid
CID 53225323

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid?
The IUPAC name of 4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid (CID 53225310) is 4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid?
The canonical SMILES for 4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid is O=C(O)c1ccc(F)cc1-c1ccccc1CO.
What is the InChIKey of 4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid?
The InChIKey is AWGBDJUEHNKAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c15-10-5-6-12(14(17)18)13(7-10)11-4-2-1-3-9(11)8-16/h1-7,16H,8H2,(H,17,18).
What are the key properties of 4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid?
4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid has a molecular weight of 246.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(hydroxymethyl)phenyl]benzoic acid is sourced from PubChem (CID 53225310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).