2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid

C15H14O4 — CID 67582989

IUPAC2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
SMILESCC(c1ccc(O)cc1)c1cccc(C(=O)O)c1O
InChIInChI=1S/C15H14O4/c1-9(10-5-7-11(16)8-6-10)12-3-2-4-13(14(12)17)15(18)19/h2-9,16-17H,1H3,(H,18,19)
InChIKeyZLCOWDIBGOSRHA-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.95
Rot. Bonds3

About 2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid

2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid (PubChem CID 67582989) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
PubChem CID67582989
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
SMILESCC(c1ccc(O)cc1)c1cccc(C(=O)O)c1O
InChIInChI=1S/C15H14O4/c1-9(10-5-7-11(16)8-6-10)12-3-2-4-13(14(12)17)15(18)19/h2-9,16-17H,1H3,(H,18,19)
InChIKeyZLCOWDIBGOSRHA-UHFFFAOYSA-N
XLogP2.95
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid
CID 19033709
(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone
CID 139643041
2-hydroxy-3-(1-sulfanylethyl)benzoic acid
CID 88637465
3-benzhydryl-2-hydroxybenzoic acid;zinc
CID 70592549
2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
CID 14454114
5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
CID 90285728
5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid
CID 19602303
3-chloro-2-hydroxy-5-[1-(4-hydroxyphenyl)ethyl]benzoic acid
CID 139842014
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
2-methyl-6-(1-phenylethyl)benzoic acid
CID 172685979
3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid
CID 70184643

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid?
The IUPAC name of 2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid (CID 67582989) is 2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid is CC(c1ccc(O)cc1)c1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid?
The InChIKey is ZLCOWDIBGOSRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-9(10-5-7-11(16)8-6-10)12-3-2-4-13(14(12)17)15(18)19/h2-9,16-17H,1H3,(H,18,19).
What are the key properties of 2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid?
2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid has a molecular weight of 258.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid is sourced from PubChem (CID 67582989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).