2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone

C15H17IO — CID 103451249

IUPAC2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
SMILESCC1CC=C(C(=O)Cc2ccc(I)cc2)CC1
InChIInChI=1S/C15H17IO/c1-11-2-6-13(7-3-11)15(17)10-12-4-8-14(16)9-5-12/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKeyCSDYKWKEHRUNNF-UHFFFAOYSA-N
MW340.20 g/mol
LogP4.15
Rot. Bonds3

About 2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone

2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone (PubChem CID 103451249) has the molecular formula C15H17IO and a molecular weight of 340.20 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
PubChem CID103451249
Molecular FormulaC15H17IO
Molecular Weight340.20 g/mol
Exact Mass340.03
IUPAC Name2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
SMILESCC1CC=C(C(=O)Cc2ccc(I)cc2)CC1
InChIInChI=1S/C15H17IO/c1-11-2-6-13(7-3-11)15(17)10-12-4-8-14(16)9-5-12/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKeyCSDYKWKEHRUNNF-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylcyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 103451108
2-(5-ethylthiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone
CID 103450946
2-(5-bromothiophen-2-yl)-1-(4-methylcyclohexen-1-yl)ethanone
CID 103451073
2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
CID 103451060
3-methyl-1-(4-methylcyclohexen-1-yl)but-3-en-1-one
CID 103451253
(4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone
CID 103451148
2-(3-bromo-2,6-difluorophenyl)-1-(4-methylcyclohexen-1-yl)ethanone
CID 114166027
1-(4-methylcyclohexen-1-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 103451165
1-(4-methylcyclohexen-1-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047618
1-(4-methylcyclohexen-1-yl)-2-(oxan-4-yl)ethanone
CID 103451153
1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone
CID 103450918
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone?
The IUPAC name of 2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone (CID 103451249) is 2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone?
The canonical SMILES for 2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone is CC1CC=C(C(=O)Cc2ccc(I)cc2)CC1.
What is the InChIKey of 2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone?
The InChIKey is CSDYKWKEHRUNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IO/c1-11-2-6-13(7-3-11)15(17)10-12-4-8-14(16)9-5-12/h4-6,8-9,11H,2-3,7,10H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone?
2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone has a molecular weight of 340.20 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(4-methylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 103451249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).