1-(3-chlorophenyl)cyclobutane-1-carboxylic acid

C11H11ClO2 — CID 644449

IUPAC1-(3-chlorophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C11H11ClO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14)
InChIKeyRCVMSQRTMODMHH-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.85
Rot. Bonds2

About 1-(3-chlorophenyl)cyclobutane-1-carboxylic acid

1-(3-chlorophenyl)cyclobutane-1-carboxylic acid (PubChem CID 644449) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(3-chlorophenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)cyclobutane-1-carboxylic acid
PubChem CID644449
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name1-(3-chlorophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C11H11ClO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14)
InChIKeyRCVMSQRTMODMHH-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)cyclobutane-1-carboxylic acid (CID 644449) is 1-(3-chlorophenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)cyclobutane-1-carboxylic acid?
The InChIKey is RCVMSQRTMODMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14).
What are the key properties of 1-(3-chlorophenyl)cyclobutane-1-carboxylic acid?
1-(3-chlorophenyl)cyclobutane-1-carboxylic acid has a molecular weight of 210.66 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 644449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).