1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone

C18H24O2 — CID 62028926

IUPAC1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
SMILESCCc1ccc(C(=O)COCC2CC=CCC2C)cc1
InChIInChI=1S/C18H24O2/c1-3-15-8-10-16(11-9-15)18(19)13-20-12-17-7-5-4-6-14(17)2/h4-5,8-11,14,17H,3,6-7,12-13H2,1-2H3
InChIKeyCCQIIRZHLYTSSS-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone

1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone (PubChem CID 62028926) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
PubChem CID62028926
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
SMILESCCc1ccc(C(=O)COCC2CC=CCC2C)cc1
InChIInChI=1S/C18H24O2/c1-3-15-8-10-16(11-9-15)18(19)13-20-12-17-7-5-4-6-14(17)2/h4-5,8-11,14,17H,3,6-7,12-13H2,1-2H3
InChIKeyCCQIIRZHLYTSSS-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone
CID 62030802
1-(3-fluoro-4-methoxyphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
CID 62029866
1-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-2-one
CID 62044489
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
CID 62030051
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835
2-but-3-enoxy-1-(4-ethylphenyl)ethanone
CID 62031033
[2-(4-ethylphenyl)-2-oxoethyl] (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7572216
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7644687
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7644691
1-(4-ethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 43800999

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone (CID 62028926) is 1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone is CCc1ccc(C(=O)COCC2CC=CCC2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone?
The InChIKey is CCQIIRZHLYTSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-15-8-10-16(11-9-15)18(19)13-20-12-17-7-5-4-6-14(17)2/h4-5,8-11,14,17H,3,6-7,12-13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone?
1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone has a molecular weight of 272.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone is sourced from PubChem (CID 62028926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).