3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride

C14H13ClO3 — CID 174615731

IUPAC3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cc(CO)cc(-c2ccccc2)c1
InChIInChI=1S/C14H12O3.ClH/c15-9-10-6-12(8-13(7-10)14(16)17)11-4-2-1-3-5-11;/h1-8,15H,9H2,(H,16,17);1H
InChIKeyMUPSEMUVFRJLAL-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.97
Rot. Bonds3

About 3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride

3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride (PubChem CID 174615731) has the molecular formula C14H13ClO3 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride
PubChem CID174615731
Molecular FormulaC14H13ClO3
Molecular Weight264.71 g/mol
Exact Mass264.06
IUPAC Name3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cc(CO)cc(-c2ccccc2)c1
InChIInChI=1S/C14H12O3.ClH/c15-9-10-6-12(8-13(7-10)14(16)17)11-4-2-1-3-5-11;/h1-8,15H,9H2,(H,16,17);1H
InChIKeyMUPSEMUVFRJLAL-UHFFFAOYSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid
CID 53225363
3-amino-5-[4-(hydroxymethyl)phenyl]benzoic acid
CID 53225367
benzene;5-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
CID 175078023
benzoic acid;phenylmethanol
CID 175191007
5-[4-[2-[4-(3,5-dicarboxyphenyl)phenyl]ethyl]phenyl]benzene-1,3-dicarboxylic acid
CID 71093182
3-[4-(trifluoromethyl)phenyl]benzoic acid;[3-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 162182546
2-(3,5-diphenylphenyl)acetic acid
CID 20542723
3,5-dihydroxy-4-phenylbenzoic acid
CID 45116831
3-phenyl-5-(2H-tetrazol-5-yl)benzoic acid
CID 53427079
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044
3-[(1,3-dioxoisoindol-2-yl)methyl]-5-(4-methylphenyl)benzoic acid;ethane
CID 178053111
5-[3-[3,5-bis[3,5-bis(3,5-dicarboxyphenyl)phenyl]phenyl]-5-(3,5-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
CID 102363703

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride?
The IUPAC name of 3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride (CID 174615731) is 3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride.
What is the SMILES notation for 3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride?
The canonical SMILES for 3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride is Cl.O=C(O)c1cc(CO)cc(-c2ccccc2)c1.
What is the InChIKey of 3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride?
The InChIKey is MUPSEMUVFRJLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.ClH/c15-9-10-6-12(8-13(7-10)14(16)17)11-4-2-1-3-5-11;/h1-8,15H,9H2,(H,16,17);1H.
What are the key properties of 3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride?
3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride has a molecular weight of 264.71 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-phenylbenzoic acid;hydrochloride is sourced from PubChem (CID 174615731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).