(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone

C17H24O2 — CID 116749233

IUPAC(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCCc1ccc(C(=O)C2(OC)CCC(C)CC2)cc1
InChIInChI=1S/C17H24O2/c1-4-14-5-7-15(8-6-14)16(18)17(19-3)11-9-13(2)10-12-17/h5-8,13H,4,9-12H2,1-3H3
InChIKeyOZHSZHZOTCOFDB-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.03
Rot. Bonds4

About (4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone

(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone (PubChem CID 116749233) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
PubChem CID116749233
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
SMILESCCc1ccc(C(=O)C2(OC)CCC(C)CC2)cc1
InChIInChI=1S/C17H24O2/c1-4-14-5-7-15(8-6-14)16(18)17(19-3)11-9-13(2)10-12-17/h5-8,13H,4,9-12H2,1-3H3
InChIKeyOZHSZHZOTCOFDB-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-2-methyl-1-phenylpropan-1-one
CID 81984
1-Hydroxycyclohexyl phenyl ketone
CID 70355
3,4-Dimethoxydalbergione
CID 115019
Methyl phenylglyoxalate
CID 84835
Methyl 2-(3-benzoylphenyl)propanoate
CID 529083
Pibecarb
CID 71114
2-Methoxy-1-phenylethanone
CID 77698
2-Hydroxy-1-(4-phenylphenyl)ethan-1-one
CID 344659
Ethyl 2-(4-methylphenyl)-2-oxoacetate
CID 2736443
Benzoin isobutyl ether
CID 90794
2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(1-phenyl-2-propenyl)-
CID 189985
2-(4-Methylphenyl)-2-oxoethyl phenylacetate
CID 789326

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The IUPAC name of (4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone (CID 116749233) is (4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The canonical SMILES for (4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone is CCc1ccc(C(=O)C2(OC)CCC(C)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
The InChIKey is OZHSZHZOTCOFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-14-5-7-15(8-6-14)16(18)17(19-3)11-9-13(2)10-12-17/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of (4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone?
(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone is sourced from PubChem (CID 116749233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).