1-(2-iodophenyl)cyclobutane-1-carboxylic acid

C11H11IO2 — CID 86712326

IUPAC1-(2-iodophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2I)CCC1
InChIInChI=1S/C11H11IO2/c12-9-5-2-1-4-8(9)11(10(13)14)6-3-7-11/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKeyNHGLFSDFRMIGQS-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.80
Rot. Bonds2

About 1-(2-iodophenyl)cyclobutane-1-carboxylic acid

1-(2-iodophenyl)cyclobutane-1-carboxylic acid (PubChem CID 86712326) has the molecular formula C11H11IO2 and a molecular weight of 302.11 g/mol. Its IUPAC name is 1-(2-iodophenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-iodophenyl)cyclobutane-1-carboxylic acid
PubChem CID86712326
Molecular FormulaC11H11IO2
Molecular Weight302.11 g/mol
Exact Mass301.98
IUPAC Name1-(2-iodophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2I)CCC1
InChIInChI=1S/C11H11IO2/c12-9-5-2-1-4-8(9)11(10(13)14)6-3-7-11/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKeyNHGLFSDFRMIGQS-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2-iodophenyl)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-(2-cyclopropyloxyphenyl)cyclobutane-1-carboxylic acid
CID 117336203
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
CID 117399697
1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 82618262
1-[2-(2,2-difluoroethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117352883
1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117405012
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
1-(2-iodophenyl)cyclohexan-1-ol
CID 91620126
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-iodophenyl)cyclobutane-1-carboxylic acid (CID 86712326) is 1-(2-iodophenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-iodophenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-iodophenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccccc2I)CCC1.
What is the InChIKey of 1-(2-iodophenyl)cyclobutane-1-carboxylic acid?
The InChIKey is NHGLFSDFRMIGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO2/c12-9-5-2-1-4-8(9)11(10(13)14)6-3-7-11/h1-2,4-5H,3,6-7H2,(H,13,14).
What are the key properties of 1-(2-iodophenyl)cyclobutane-1-carboxylic acid?
1-(2-iodophenyl)cyclobutane-1-carboxylic acid has a molecular weight of 302.11 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 86712326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).