3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol

C13H17IO — CID 65490568

IUPAC3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1Cc1ccc(I)cc1
InChIInChI=1S/C13H17IO/c1-9-11(4-7-13(9)15)8-10-2-5-12(14)6-3-10/h2-3,5-6,9,11,13,15H,4,7-8H2,1H3
InChIKeyAJMZOPXSSAMGIQ-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.24
Rot. Bonds2

About 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol

3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol (PubChem CID 65490568) has the molecular formula C13H17IO and a molecular weight of 316.18 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol
PubChem CID65490568
Molecular FormulaC13H17IO
Molecular Weight316.18 g/mol
Exact Mass316.03
IUPAC Name3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1Cc1ccc(I)cc1
InChIInChI=1S/C13H17IO/c1-9-11(4-7-13(9)15)8-10-2-5-12(14)6-3-10/h2-3,5-6,9,11,13,15H,4,7-8H2,1H3
InChIKeyAJMZOPXSSAMGIQ-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol?
The IUPAC name of 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol (CID 65490568) is 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol?
The canonical SMILES for 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol is CC1C(O)CCC1Cc1ccc(I)cc1.
What is the InChIKey of 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol?
The InChIKey is AJMZOPXSSAMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IO/c1-9-11(4-7-13(9)15)8-10-2-5-12(14)6-3-10/h2-3,5-6,9,11,13,15H,4,7-8H2,1H3.
What are the key properties of 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol?
3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol has a molecular weight of 316.18 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methyl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 65490568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).