3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid

C14H17ClO2 — CID 106865472

IUPAC3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid
SMILESCc1ccc(CC(C)(C(=O)O)C2CC2)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-9-3-4-10(12(15)7-9)8-14(2,13(16)17)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyCGFJAALPWOSVEC-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.69
Rot. Bonds4

About 3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid

3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid (PubChem CID 106865472) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid
PubChem CID106865472
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid
SMILESCc1ccc(CC(C)(C(=O)O)C2CC2)c(Cl)c1
InChIInChI=1S/C14H17ClO2/c1-9-3-4-10(12(15)7-9)8-14(2,13(16)17)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyCGFJAALPWOSVEC-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chloro-4-methylbenzene
CID 106870728
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148269
3-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148148
3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 107883030
1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
CID 106866125
2-[(2-chloro-4-methylphenyl)methylsulfinyl]-2-methylpropanoic acid
CID 106869012
2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethanone
CID 106865356
1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
CID 106866548
2-cyclopropyl-2-methyl-3-(4-propan-2-ylphenyl)propanoic acid
CID 83154352
N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 106869645
2-[(2-chloro-4-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 106870913
3-[(2-chloro-4-methylphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428375

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid (CID 106865472) is 3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid is Cc1ccc(CC(C)(C(=O)O)C2CC2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid?
The InChIKey is CGFJAALPWOSVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-9-3-4-10(12(15)7-9)8-14(2,13(16)17)11-5-6-11/h3-4,7,11H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid?
3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid has a molecular weight of 252.74 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid is sourced from PubChem (CID 106865472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).