1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone

C15H19IO2 — CID 103450918

IUPAC1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2ccc(I)cc2)CC1
InChIInChI=1S/C15H19IO2/c1-11-6-8-15(18,9-7-11)14(17)10-12-2-4-13(16)5-3-12/h2-5,11,18H,6-10H2,1H3
InChIKeyGYBWZINESSBKEZ-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.34
Rot. Bonds3

About 1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone

1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone (PubChem CID 103450918) has the molecular formula C15H19IO2 and a molecular weight of 358.22 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone
PubChem CID103450918
Molecular FormulaC15H19IO2
Molecular Weight358.22 g/mol
Exact Mass358.04
IUPAC Name1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2ccc(I)cc2)CC1
InChIInChI=1S/C15H19IO2/c1-11-6-8-15(18,9-7-11)14(17)10-12-2-4-13(16)5-3-12/h2-5,11,18H,6-10H2,1H3
InChIKeyGYBWZINESSBKEZ-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450708
2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450824
2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450762
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450636
2-(4-bromo-2-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450671
1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 103450798
2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447700
2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 65479105
2-(4-tert-butylphenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450069
3-(4-iodophenyl)-1,1-dimethoxypropan-2-one
CID 79492104

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone?
The IUPAC name of 1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone (CID 103450918) is 1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone.
What is the SMILES notation for 1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone?
The canonical SMILES for 1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone is CC1CCC(O)(C(=O)Cc2ccc(I)cc2)CC1.
What is the InChIKey of 1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone?
The InChIKey is GYBWZINESSBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IO2/c1-11-6-8-15(18,9-7-11)14(17)10-12-2-4-13(16)5-3-12/h2-5,11,18H,6-10H2,1H3.
What are the key properties of 1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone?
1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone has a molecular weight of 358.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone is sourced from PubChem (CID 103450918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).