2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid

C23H22O3 — CID 14454114

IUPAC2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
SMILESCC(c1ccccc1)c1ccc(C(=O)O)c(O)c1C(C)c1ccccc1
InChIInChI=1S/C23H22O3/c1-15(17-9-5-3-6-10-17)19-13-14-20(23(25)26)22(24)21(19)16(2)18-11-7-4-8-12-18/h3-16,24H,1-2H3,(H,25,26)
InChIKeyWSERGOXVVNJSIQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.39
Rot. Bonds5

About 2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid

2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid (PubChem CID 14454114) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
PubChem CID14454114
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
SMILESCC(c1ccccc1)c1ccc(C(=O)O)c(O)c1C(C)c1ccccc1
InChIInChI=1S/C23H22O3/c1-15(17-9-5-3-6-10-17)19-13-14-20(23(25)26)22(24)21(19)16(2)18-11-7-4-8-12-18/h3-16,24H,1-2H3,(H,25,26)
InChIKeyWSERGOXVVNJSIQ-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-(1-phenylethyl)phenyl]ethyl]benzoic acid
CID 19033709
2,5-dihydroxy-4-(1-phenylethyl)benzoic acid
CID 21413983
5-bromo-2-hydroxy-3-(1-phenylethyl)benzoic acid
CID 19602303
2-hydroxy-3-[1-(4-hydroxyphenyl)ethyl]benzoic acid
CID 67582989
[2,3,4-tris(1-phenylethyl)phenyl] hydrogen sulfate
CID 67822105
3-methyl-2,6-bis(1-phenylethyl)-4-propan-2-ylphenol
CID 90085264
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
2-methyl-6-(1-phenylethyl)benzoic acid
CID 172685979
(2-hydroxyphenyl)-[2-hydroxy-3-(1-phenylethyl)phenyl]methanone
CID 139643041
2-hydroxy-3,4-di(propan-2-yl)benzoic acid;2,2,2-trichloroacetic acid
CID 70556337
2-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68956962
1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene
CID 69457380

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid?
The IUPAC name of 2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid (CID 14454114) is 2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid?
The canonical SMILES for 2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid is CC(c1ccccc1)c1ccc(C(=O)O)c(O)c1C(C)c1ccccc1.
What is the InChIKey of 2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid?
The InChIKey is WSERGOXVVNJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-15(17-9-5-3-6-10-17)19-13-14-20(23(25)26)22(24)21(19)16(2)18-11-7-4-8-12-18/h3-16,24H,1-2H3,(H,25,26).
What are the key properties of 2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid?
2-hydroxy-3,4-bis(1-phenylethyl)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-3,4-bis(1-phenylethyl)benzoic acid is sourced from PubChem (CID 14454114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).