3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid

C21H17ClO3 — CID 3054480

IUPAC3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)CC(O)(c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17ClO3/c22-19-12-10-18(11-13-19)21(25,14-20(23)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,25H,14H2,(H,23,24)
InChIKeyUOBZVFNKWOMGOW-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.72
Rot. Bonds5

About 3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid

3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid (PubChem CID 3054480) has the molecular formula C21H17ClO3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid
PubChem CID3054480
Molecular FormulaC21H17ClO3
Molecular Weight352.82 g/mol
Exact Mass352.09
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)CC(O)(c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17ClO3/c22-19-12-10-18(11-13-19)21(25,14-20(23)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,25H,14H2,(H,23,24)
InChIKeyUOBZVFNKWOMGOW-UHFFFAOYSA-N
XLogP4.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Biphenylcarboxylic acid, 4'-chloro-
CID 616002
4-[4-(4-Chlorobenzoyl)benzoyl]benzoic acid
CID 10428890
4-[4-(2,4-Dichlorophenyl)benzoyl]benzoic acid
CID 11726674
3-[1-(4-Chlorophenyl)-5-(4-methylphenyl)-1,5-dioxopentan-3-yl]benzoic acid
CID 19926515
Ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate
CID 89439
7-(2-Chlorophenyl)-1-hydroxy-1,1-diphenylheptane-3,5-dione
CID 276495
(E)-4-(3-(4-Chlorophenyl)-3-oxoprop-1-en-1-yl)benzoic acid
CID 5996034
Benzenepropanoic acid, 3-chloro-4-cyclohexyl-beta-hydroxy-beta-methyl-
CID 64859
3-((1,1'-Biphenyl)-4-yl)-3-hydroxy-4-phenylbutanoic acid
CID 2754441
3-((1,1'-Biphenyl)-4-yl)-3-hydroxy-3-phenylpropanoic acid
CID 3054479
Hydracrylic acid, 3-(4-biphenylyl)-3-(p-tolyl)-, (+-)-
CID 3054482
(1,1'-Biphenyl)-4-acetic acid, alpha-(1-hydroxy-1-phenylethyl)-, (R*,S*)-(+)-
CID 3069703

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid (CID 3054480) is 3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid is O=C(O)CC(O)(c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid?
The InChIKey is UOBZVFNKWOMGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO3/c22-19-12-10-18(11-13-19)21(25,14-20(23)24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,25H,14H2,(H,23,24).
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid?
3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid has a molecular weight of 352.82 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 3054480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).