2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid

C14H17ClO2 — CID 13083372

IUPAC2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H17ClO2/c1-13(2,12(16)17)14(8-3-9-14)10-4-6-11(15)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKeySASLBNHFUJFSGK-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.87
Rot. Bonds3

About 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid

2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid (PubChem CID 13083372) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid
PubChem CID13083372
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H17ClO2/c1-13(2,12(16)17)14(8-3-9-14)10-4-6-11(15)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,16,17)
InChIKeySASLBNHFUJFSGK-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic 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

1-(1-tert-butylcyclohexyl)-4-chlorobenzene
CID 59590193
2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid
CID 68974773
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
tert-butyl N-[1-(4-chlorophenyl)cyclobutyl]-N-methylcarbamate
CID 91308995
5-amino-5-[1-(4-chlorophenyl)cyclobutyl]-3-methoxyhexan-3-ol
CID 70468090
1-amino-4-[1-(3-chloro-5-methylphenyl)cyclobutyl]-4-methylpentan-3-one
CID 70468556
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792
2-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpentanamide
CID 119769979
4-(3-tert-butyloxetan-3-yl)benzoic acid
CID 116872238
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454500
tert-butyl 2-[[1-(4-chlorophenyl)cyclobutyl]methoxy]acetate
CID 66685725

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid (CID 13083372) is 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid?
The InChIKey is SASLBNHFUJFSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-13(2,12(16)17)14(8-3-9-14)10-4-6-11(15)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid?
2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid has a molecular weight of 252.74 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropanoic acid is sourced from PubChem (CID 13083372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).