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

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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).