3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid

C17H17ClO3 — CID 83952274

IUPAC3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(Cc2ccc(O)c(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C17H17ClO3/c1-2-11-3-6-13(7-4-11)14(17(20)21)9-12-5-8-16(19)15(18)10-12/h3-8,10,14,19H,2,9H2,1H3,(H,20,21)
InChIKeyVUAUWTZZLAITHR-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.02
Rot. Bonds5

About 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid

3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid (PubChem CID 83952274) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
PubChem CID83952274
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(C(Cc2ccc(O)c(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C17H17ClO3/c1-2-11-3-6-13(7-4-11)14(17(20)21)9-12-5-8-16(19)15(18)10-12/h3-8,10,14,19H,2,9H2,1H3,(H,20,21)
InChIKeyVUAUWTZZLAITHR-UHFFFAOYSA-N
XLogP4.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83952263
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
2,3-bis(3,4-dichlorophenyl)propanoic acid
CID 131874584
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one
CID 82185150
3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83952270
3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
2-(4-ethylphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951471
3-(4-ethylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83953183
2-(4-ethylphenyl)-3-[3-(2-methylpropoxy)phenyl]propanoic acid
CID 83953697

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid (CID 83952274) is 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid is CCc1ccc(C(Cc2ccc(O)c(Cl)c2)C(=O)O)cc1.
What is the InChIKey of 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid?
The InChIKey is VUAUWTZZLAITHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-2-11-3-6-13(7-4-11)14(17(20)21)9-12-5-8-16(19)15(18)10-12/h3-8,10,14,19H,2,9H2,1H3,(H,20,21).
What are the key properties of 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid?
3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid has a molecular weight of 304.77 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 83952274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).