2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid

C17H17ClO2 — CID 79439562

IUPAC2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C)cc(CC(C(=O)O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClO2/c1-11-7-12(2)9-13(8-11)10-15(17(19)20)14-5-3-4-6-16(14)18/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyFRRIJNZAEWRMIK-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.37
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid

2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid (PubChem CID 79439562) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
PubChem CID79439562
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
SMILESCc1cc(C)cc(CC(C(=O)O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClO2/c1-11-7-12(2)9-13(8-11)10-15(17(19)20)14-5-3-4-6-16(14)18/h3-9,15H,10H2,1-2H3,(H,19,20)
InChIKeyFRRIJNZAEWRMIK-UHFFFAOYSA-N
XLogP4.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
CID 106865459
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
CID 103038733
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 79439265
ethyl 2-(2-chlorophenyl)-3-phenylpropanoate
CID 169227908
2-(2-chlorophenyl)-3-(4-nitrophenyl)propanoic acid
CID 79434530
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
2-(2-chlorophenyl)-4-methylpentanoic acid
CID 79019167
2-(2-chlorophenyl)-3-(2,3-dichlorophenyl)propanoic acid
CID 107307183
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
CID 117244362
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(2-chlorophenyl)propanoic acid
CID 79439189

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid (CID 79439562) is 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid is Cc1cc(C)cc(CC(C(=O)O)c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid?
The InChIKey is FRRIJNZAEWRMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-11-7-12(2)9-13(8-11)10-15(17(19)20)14-5-3-4-6-16(14)18/h3-9,15H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid?
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid has a molecular weight of 288.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid is sourced from PubChem (CID 79439562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).