1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol

C16H23IO — CID 81313908

IUPAC1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)Cc1ccc(I)cc1
InChIInChI=1S/C16H23IO/c1-12-10-15(2,3)8-9-16(12,18)11-13-4-6-14(17)7-5-13/h4-7,12,18H,8-11H2,1-3H3
InChIKeyOJAJMTLLBIMNEY-UHFFFAOYSA-N
MW358.26 g/mol
LogP4.41
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol

1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 81313908) has the molecular formula C16H23IO and a molecular weight of 358.26 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
PubChem CID81313908
Molecular FormulaC16H23IO
Molecular Weight358.26 g/mol
Exact Mass358.08
IUPAC Name1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)Cc1ccc(I)cc1
InChIInChI=1S/C16H23IO/c1-12-10-15(2,3)8-9-16(12,18)11-13-4-6-14(17)7-5-13/h4-7,12,18H,8-11H2,1-3H3
InChIKeyOJAJMTLLBIMNEY-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 54.41
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-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol (CID 81313908) is 1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol is CC1CC(C)(C)CCC1(O)Cc1ccc(I)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is OJAJMTLLBIMNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IO/c1-12-10-15(2,3)8-9-16(12,18)11-13-4-6-14(17)7-5-13/h4-7,12,18H,8-11H2,1-3H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol?
1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 358.26 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 81313908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).