2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one

C17H22O2 — CID 62029303

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one
SMILESCC(OCC1CC=CCC1C)C(=O)c1ccccc1
InChIInChI=1S/C17H22O2/c1-13-8-6-7-11-16(13)12-19-14(2)17(18)15-9-4-3-5-10-15/h3-7,9-10,13-14,16H,8,11-12H2,1-2H3
InChIKeyMCKHXIASJCAFFJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.88
Rot. Bonds5

About 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one

2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one (PubChem CID 62029303) 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-phenylpropan-1-one.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one
PubChem CID62029303
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one
SMILESCC(OCC1CC=CCC1C)C(=O)c1ccccc1
InChIInChI=1S/C17H22O2/c1-13-8-6-7-11-16(13)12-19-14(2)17(18)15-9-4-3-5-10-15/h3-7,9-10,13-14,16H,8,11-12H2,1-2H3
InChIKeyMCKHXIASJCAFFJ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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-phenyl-2-propoxypropan-1-one
CID 43801137
2-(2-bromoethoxy)-1-phenylpropan-1-one
CID 54435812
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
CID 112588356
3-[[(1R,6S)-6-methylcyclohex-3-en-1-yl]methoxymethyl]benzoic acid
CID 29005819
2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]benzoic acid
CID 43473193
2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
CID 43128760
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate
CID 139185945
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
(1-oxo-1-phenylpropan-2-yl) cyclopropanecarboxylate
CID 55319933
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
CID 15163839
[(1S,6R)-6-methylcyclohex-3-en-1-yl]methyl 5-(benzenesulfonylmethyl)furan-2-carboxylate
CID 51728783

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one (CID 62029303) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one is CC(OCC1CC=CCC1C)C(=O)c1ccccc1.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one?
The InChIKey is MCKHXIASJCAFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-13-8-6-7-11-16(13)12-19-14(2)17(18)15-9-4-3-5-10-15/h3-7,9-10,13-14,16H,8,11-12H2,1-2H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one?
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-1-phenylpropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 3.88, 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-phenylpropan-1-one is sourced from PubChem (CID 62029303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).