2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol

C17H25IO — CID 65490567

IUPAC2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)Cc2ccc(I)cc2)C(O)C1
InChIInChI=1S/C17H25IO/c1-12-4-9-15(16(19)10-12)17(2,3)11-13-5-7-14(18)8-6-13/h5-8,12,15-16,19H,4,9-11H2,1-3H3
InChIKeySLKHZRNKBKKHHI-UHFFFAOYSA-N
MW372.29 g/mol
LogP4.66
Rot. Bonds3

About 2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol

2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 65490567) has the molecular formula C17H25IO and a molecular weight of 372.29 g/mol. Its IUPAC name is 2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID65490567
Molecular FormulaC17H25IO
Molecular Weight372.29 g/mol
Exact Mass372.10
IUPAC Name2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)Cc2ccc(I)cc2)C(O)C1
InChIInChI=1S/C17H25IO/c1-12-4-9-15(16(19)10-12)17(2,3)11-13-5-7-14(18)8-6-13/h5-8,12,15-16,19H,4,9-11H2,1-3H3
InChIKeySLKHZRNKBKKHHI-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.66
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 2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol (CID 65490567) is 2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)Cc2ccc(I)cc2)C(O)C1.
What is the InChIKey of 2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is SLKHZRNKBKKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25IO/c1-12-4-9-15(16(19)10-12)17(2,3)11-13-5-7-14(18)8-6-13/h5-8,12,15-16,19H,4,9-11H2,1-3H3.
What are the key properties of 2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol?
2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 372.29 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 65490567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).