3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid

C13H15ClO2 — CID 83824648

IUPAC3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCc1ccc(C(CC(=O)O)C2CC2)cc1Cl
InChIInChI=1S/C13H15ClO2/c1-8-2-3-10(6-12(8)14)11(7-13(15)16)9-4-5-9/h2-3,6,9,11H,4-5,7H2,1H3,(H,15,16)
InChIKeyJHPFMHXOZUVJKM-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.62
Rot. Bonds4

About 3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid

3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid (PubChem CID 83824648) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
PubChem CID83824648
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCc1ccc(C(CC(=O)O)C2CC2)cc1Cl
InChIInChI=1S/C13H15ClO2/c1-8-2-3-10(6-12(8)14)11(7-13(15)16)9-4-5-9/h2-3,6,9,11H,4-5,7H2,1H3,(H,15,16)
InChIKeyJHPFMHXOZUVJKM-UHFFFAOYSA-N
XLogP3.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117389808
3-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopropylpropanoic acid
CID 117423160
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-[3-(dimethylamino)-4-methylphenyl]propanoic acid
CID 117107841
3-cyclopropyl-3-(4-methyl-3-methylsulfonylphenyl)propanoic acid
CID 117453862
3-[3-chloro-4-(1-methylazetidin-3-yl)phenyl]-3-cyclopropylpropanoic acid
CID 117474023
(3S)-3-(3-amino-4-chlorophenyl)-3-cyclopropylpropanoic acid;hydrochloride
CID 142599841
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
(1R,5R)-1,5-dicyclopropyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304311
3-cyclobutyl-3-(4-fluoro-3-methylphenyl)propanoic acid
CID 82291605
3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117429853

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid (CID 83824648) is 3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid is Cc1ccc(C(CC(=O)O)C2CC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid?
The InChIKey is JHPFMHXOZUVJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-8-2-3-10(6-12(8)14)11(7-13(15)16)9-4-5-9/h2-3,6,9,11H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid?
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid has a molecular weight of 238.71 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 83824648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).