3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid

C15H11F3O3 — CID 53225363

IUPAC3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(-c2cccc(CO)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)13-6-11(5-12(7-13)14(20)21)10-3-1-2-9(4-10)8-19/h1-7,19H,8H2,(H,20,21)
InChIKeyQVRJCLHAFCPPDA-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.56
Rot. Bonds3

About 3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid

3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid (PubChem CID 53225363) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid
PubChem CID53225363
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1cc(-c2cccc(CO)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)13-6-11(5-12(7-13)14(20)21)10-3-1-2-9(4-10)8-19/h1-7,19H,8H2,(H,20,21)
InChIKeyQVRJCLHAFCPPDA-UHFFFAOYSA-N
XLogP3.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(trifluoromethyl)phenyl]benzoic acid;[3-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 162182546
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
3-(4-carboxyphenyl)-5-(trifluoromethyl)benzoic acid
CID 53226200
3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride
CID 174615731
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzoic acid
CID 53228337
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 146020152
3-[4-(2-methylpropyl)phenyl]-5-(trifluoromethyl)benzoic acid
CID 172652344
3-methyl-5-(trifluoromethyl)benzoic acid;[3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 158005309
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid (CID 53225363) is 3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid is O=C(O)c1cc(-c2cccc(CO)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid?
The InChIKey is QVRJCLHAFCPPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)13-6-11(5-12(7-13)14(20)21)10-3-1-2-9(4-10)8-19/h1-7,19H,8H2,(H,20,21).
What are the key properties of 3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid?
3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid has a molecular weight of 296.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 53225363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).