1-(2-iodophenyl)cyclohexan-1-ol

C12H15IO — CID 91620126

IUPAC1-(2-iodophenyl)cyclohexan-1-ol
SMILESOC1(c2ccccc2I)CCCCC1
InChIInChI=1S/C12H15IO/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h2-3,6-7,14H,1,4-5,8-9H2
InChIKeyVBHPVSFSUGHNHL-UHFFFAOYSA-N
MW302.15 g/mol
LogP3.44
Rot. Bonds1

About 1-(2-iodophenyl)cyclohexan-1-ol

1-(2-iodophenyl)cyclohexan-1-ol (PubChem CID 91620126) has the molecular formula C12H15IO and a molecular weight of 302.15 g/mol. Its IUPAC name is 1-(2-iodophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-iodophenyl)cyclohexan-1-ol
PubChem CID91620126
Molecular FormulaC12H15IO
Molecular Weight302.15 g/mol
Exact Mass302.02
IUPAC Name1-(2-iodophenyl)cyclohexan-1-ol
SMILESOC1(c2ccccc2I)CCCCC1
InChIInChI=1S/C12H15IO/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h2-3,6-7,14H,1,4-5,8-9H2
InChIKeyVBHPVSFSUGHNHL-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-iodophenyl)cyclohexan-1-ol (CID 91620126) is 1-(2-iodophenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-iodophenyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-iodophenyl)cyclohexan-1-ol is OC1(c2ccccc2I)CCCCC1.
What is the InChIKey of 1-(2-iodophenyl)cyclohexan-1-ol?
The InChIKey is VBHPVSFSUGHNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO/c13-11-7-3-2-6-10(11)12(14)8-4-1-5-9-12/h2-3,6-7,14H,1,4-5,8-9H2.
What are the key properties of 1-(2-iodophenyl)cyclohexan-1-ol?
1-(2-iodophenyl)cyclohexan-1-ol has a molecular weight of 302.15 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)cyclohexan-1-ol is sourced from PubChem (CID 91620126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).