2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid

C24H24O3 — CID 19770533

IUPAC2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid
SMILESCC(c1ccccc1)c1cc(C(=O)O)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C24H24O3/c1-16(17-10-6-4-7-11-17)18-14-20(23(26)27)22(25)21(15-18)24(2,3)19-12-8-5-9-13-19/h4-16,25H,1-3H3,(H,26,27)
InChIKeyYTZGNAVANGDQDE-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.57
Rot. Bonds5

About 2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid

2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid (PubChem CID 19770533) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid
PubChem CID19770533
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid
SMILESCC(c1ccccc1)c1cc(C(=O)O)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C24H24O3/c1-16(17-10-6-4-7-11-17)18-14-20(23(26)27)22(25)21(15-18)24(2,3)19-12-8-5-9-13-19/h4-16,25H,1-3H3,(H,26,27)
InChIKeyYTZGNAVANGDQDE-UHFFFAOYSA-N
XLogP5.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid;zinc;hydrate
CID 67943288
2-[2-hydroxy-3,5-bis(1-phenylethyl)benzoyl]oxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
CID 56614742
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
CID 21413982
2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid
CID 70427385
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
3-(1,3-diphenylbutyl)-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 15085359
2-carboxy-4-(1-phenylethyl)phenolate
CID 54708045
2-hydroxy-3-methyl-5-(2-phenylpropan-2-yl)benzoic acid
CID 14548775
3,5-ditert-butyl-2-[2-hydroxy-3,5-bis(1-phenylethyl)benzoyl]oxybenzoic acid
CID 56975480
zinc bis(2-carboxy-4-(1-phenylethyl)phenolate)
CID 54721130
3-hexan-2-yl-2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 150931941

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid (CID 19770533) is 2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid is CC(c1ccccc1)c1cc(C(=O)O)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid?
The InChIKey is YTZGNAVANGDQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-16(17-10-6-4-7-11-17)18-14-20(23(26)27)22(25)21(15-18)24(2,3)19-12-8-5-9-13-19/h4-16,25H,1-3H3,(H,26,27).
What are the key properties of 2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid?
2-hydroxy-5-(1-phenylethyl)-3-(2-phenylpropan-2-yl)benzoic acid has a molecular weight of 360.45 g/mol, XLogP of 5.57, 5 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)-3-(2-phenylpropan-2-yl)benzoic acid is sourced from PubChem (CID 19770533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).