2-hydroxy-5-(1-phenylethyl)benzoic acid

C15H14O3 — CID 11402235

IUPAC2-hydroxy-5-(1-phenylethyl)benzoic acid
SMILESCC(c1ccccc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C15H14O3/c1-10(11-5-3-2-4-6-11)12-7-8-14(16)13(9-12)15(17)18/h2-10,16H,1H3,(H,17,18)
InChIKeyMSOVRVJXGBFBNF-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.24
Rot. Bonds3

About 2-hydroxy-5-(1-phenylethyl)benzoic acid

2-hydroxy-5-(1-phenylethyl)benzoic acid (PubChem CID 11402235) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-hydroxy-5-(1-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(1-phenylethyl)benzoic acid
PubChem CID11402235
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-hydroxy-5-(1-phenylethyl)benzoic acid
SMILESCC(c1ccccc1)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C15H14O3/c1-10(11-5-3-2-4-6-11)12-7-8-14(16)13(9-12)15(17)18/h2-10,16H,1H3,(H,17,18)
InChIKeyMSOVRVJXGBFBNF-UHFFFAOYSA-N
XLogP3.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
2-carboxy-4-(1-phenylethyl)phenolate
CID 54708045
2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
CID 131037950
zinc bis(2-carboxy-4-(1-phenylethyl)phenolate)
CID 54721130
5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
CID 90285728
2,5-dihydroxy-4-(1-phenylethyl)benzoic acid
CID 21413983
5-(1-phenylethyl)-2-[1-[4-(1-phenylethyl)phenyl]ethoxy]benzoic acid
CID 151769590
2-hydroxy-5-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276012
2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid
CID 19033709
3-[bis(4-propan-2-ylphenyl)methyl]-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 139751316
2-tert-butyl-4-(1-phenylethyl)phenol
CID 23036863
aluminum tris(2-carboxy-4,6-bis(1-phenylethyl)phenolate)
CID 173457169

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(1-phenylethyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(1-phenylethyl)benzoic acid (CID 11402235) is 2-hydroxy-5-(1-phenylethyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(1-phenylethyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(1-phenylethyl)benzoic acid is CC(c1ccccc1)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(1-phenylethyl)benzoic acid?
The InChIKey is MSOVRVJXGBFBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10(11-5-3-2-4-6-11)12-7-8-14(16)13(9-12)15(17)18/h2-10,16H,1H3,(H,17,18).
What are the key properties of 2-hydroxy-5-(1-phenylethyl)benzoic acid?
2-hydroxy-5-(1-phenylethyl)benzoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(1-phenylethyl)benzoic acid is sourced from PubChem (CID 11402235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).