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

C17H22O2 — CID 62030802

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COCC2CC=CCC2C)cc1
InChIInChI=1S/C17H22O2/c1-13-7-9-15(10-8-13)17(18)12-19-11-16-6-4-3-5-14(16)2/h3-4,7-10,14,16H,5-6,11-12H2,1-2H3
InChIKeyHTKJLJJHUWWGMP-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.80
Rot. Bonds5

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

2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone (PubChem CID 62030802) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone
PubChem CID62030802
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COCC2CC=CCC2C)cc1
InChIInChI=1S/C17H22O2/c1-13-7-9-15(10-8-13)17(18)12-19-11-16-6-4-3-5-14(16)2/h3-4,7-10,14,16H,5-6,11-12H2,1-2H3
InChIKeyHTKJLJJHUWWGMP-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.80
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

1-(4-ethylphenyl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
CID 62028926
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
2-but-3-enoxy-1-(4-methylphenyl)ethanone
CID 62029141
2-heptoxy-1-(4-methylphenyl)ethanone
CID 43800117
2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone
CID 162401384
(3aS,7aS)-2-[4-[2-(4-methylphenyl)-2-oxoethoxy]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7275537
2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-carboxylic acid
CID 43477541
phenacyloxymethyl 3-(4-methylphenyl)-3-oxopropanoate
CID 175385549
5-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]benzoic acid
CID 63292963
2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795012
[2-(4-methylphenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylpentanoate
CID 3671253

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone (CID 62030802) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)COCC2CC=CCC2C)cc1.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone?
The InChIKey is HTKJLJJHUWWGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-13-7-9-15(10-8-13)17(18)12-19-11-16-6-4-3-5-14(16)2/h3-4,7-10,14,16H,5-6,11-12H2,1-2H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 62030802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).