1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid

C11H11ClO3 — CID 82618262

IUPAC1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2O)CCC1
InChIInChI=1S/C11H11ClO3/c12-8-4-1-3-7(9(8)13)11(10(14)15)5-2-6-11/h1,3-4,13H,2,5-6H2,(H,14,15)
InChIKeyHXVLZTXLCOGSKR-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.55
Rot. Bonds2

About 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid

1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 82618262) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID82618262
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2O)CCC1
InChIInChI=1S/C11H11ClO3/c12-8-4-1-3-7(9(8)13)11(10(14)15)5-2-6-11/h1,3-4,13H,2,5-6H2,(H,14,15)
InChIKeyHXVLZTXLCOGSKR-UHFFFAOYSA-N
XLogP2.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic 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-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(2-amino-3-chlorophenyl)cyclohexane-1-carboxylic acid
CID 106702484
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988
1-[3-chloro-2-(1-fluoroethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117395054
1-(2-bromo-6-chlorophenyl)cyclobutane-1-carboxylic acid
CID 117467914
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117363611
2-(1-aminocyclopentyl)-6-chlorophenol
CID 131350484
1-[2-hydroxy-3-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117344777
1-[3-chloro-2-(1,1-difluoroethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117487556
2-chloro-6-(1-methylcyclopropyl)phenol
CID 174458816
2-(1-aminocyclopropyl)-6-chlorophenol
CID 84732624
2-chloro-6-(1-phenylcyclopropyl)phenol
CID 174471546

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid (CID 82618262) is 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cccc(Cl)c2O)CCC1.
What is the InChIKey of 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is HXVLZTXLCOGSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c12-8-4-1-3-7(9(8)13)11(10(14)15)5-2-6-11/h1,3-4,13H,2,5-6H2,(H,14,15).
What are the key properties of 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid?
1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 82618262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).