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

C23H22O3 — CID 19033709

IUPAC2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid
SMILESCC(c1ccccc1)c1ccc(C(C)c2cccc(C(=O)O)c2O)cc1
InChIInChI=1S/C23H22O3/c1-15(17-7-4-3-5-8-17)18-11-13-19(14-12-18)16(2)20-9-6-10-21(22(20)24)23(25)26/h3-16,24H,1-2H3,(H,25,26)
InChIKeyFIGFPBGXUBUZQQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.39
Rot. Bonds5

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

2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid (PubChem CID 19033709) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid
PubChem CID19033709
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid
SMILESCC(c1ccccc1)c1ccc(C(C)c2cccc(C(=O)O)c2O)cc1
InChIInChI=1S/C23H22O3/c1-15(17-7-4-3-5-8-17)18-11-13-19(14-12-18)16(2)20-9-6-10-21(22(20)24)23(25)26/h3-16,24H,1-2H3,(H,25,26)
InChIKeyFIGFPBGXUBUZQQ-UHFFFAOYSA-N
XLogP5.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
CID 67582989
(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone
CID 139643041
3-benzhydryl-2-hydroxybenzoic acid;zinc
CID 70592549
2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
CID 14454114
2-hydroxy-3-(1-sulfanylethyl)benzoic acid
CID 88637465
5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid
CID 19602303
3-[bis(4-propan-2-ylphenyl)methyl]-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 139751316
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
2-methyl-6-(1-phenylethyl)benzoic acid
CID 172685979
2,5-dihydroxy-4-(1-phenylethyl)benzoic acid
CID 21413983
3-(1,3-diphenylbutyl)-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 15085359
2-carboxy-4-(1-phenylethyl)phenolate
CID 54708045

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid?
The IUPAC name of 2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid (CID 19033709) is 2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid is CC(c1ccccc1)c1ccc(C(C)c2cccc(C(=O)O)c2O)cc1.
What is the InChIKey of 2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid?
The InChIKey is FIGFPBGXUBUZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-15(17-7-4-3-5-8-17)18-11-13-19(14-12-18)16(2)20-9-6-10-21(22(20)24)23(25)26/h3-16,24H,1-2H3,(H,25,26).
What are the key properties of 2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid?
2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid has a molecular weight of 346.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid is sourced from PubChem (CID 19033709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).