2-benzyl-2-methoxycyclohexan-1-one

C14H18O2 — CID 11806160

IUPAC2-benzyl-2-methoxycyclohexan-1-one
SMILESCOC1(Cc2ccccc2)CCCCC1=O
InChIInChI=1S/C14H18O2/c1-16-14(10-6-5-9-13(14)15)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyLAOKLZZZSYRJGH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.76
Rot. Bonds3

About 2-benzyl-2-methoxycyclohexan-1-one

2-benzyl-2-methoxycyclohexan-1-one (PubChem CID 11806160) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-benzyl-2-methoxycyclohexan-1-one.

Molecular Properties

Compound Name2-benzyl-2-methoxycyclohexan-1-one
PubChem CID11806160
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-benzyl-2-methoxycyclohexan-1-one
SMILESCOC1(Cc2ccccc2)CCCCC1=O
InChIInChI=1S/C14H18O2/c1-16-14(10-6-5-9-13(14)15)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyLAOKLZZZSYRJGH-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 175604739
methyl (1S)-1-benzyl-2-oxocyclohexane-1-carboxylate
CID 13267388
tert-butyl 1-benzyl-2-oxocyclohexane-1-carboxylate
CID 10266125
ethyl 1-benzyl-2-oxocyclohexane-1-carboxylate
CID 10445323
(2S)-2-benzyl-2-prop-2-enylcyclohexan-1-one
CID 11183780
(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-2-trimethylsilyloxycyclohexan-1-one
CID 86757468
benzyl 1-methyl-2-oxocyclohexane-1-carboxylate
CID 67285279
2-benzyl-2-methylpiperidin-3-one
CID 115023071
(2S)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-one
CID 11379955
2-benzyl-2-(methylamino)cyclopropan-1-one
CID 137398980
(2S)-2-methyl-2-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 102124068
(2S)-2-(2-methoxyethylamino)-2-phenylcyclohexan-1-one
CID 156538709

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-methoxycyclohexan-1-one?
The IUPAC name of 2-benzyl-2-methoxycyclohexan-1-one (CID 11806160) is 2-benzyl-2-methoxycyclohexan-1-one.
What is the SMILES notation for 2-benzyl-2-methoxycyclohexan-1-one?
The canonical SMILES for 2-benzyl-2-methoxycyclohexan-1-one is COC1(Cc2ccccc2)CCCCC1=O.
What is the InChIKey of 2-benzyl-2-methoxycyclohexan-1-one?
The InChIKey is LAOKLZZZSYRJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-16-14(10-6-5-9-13(14)15)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3.
What are the key properties of 2-benzyl-2-methoxycyclohexan-1-one?
2-benzyl-2-methoxycyclohexan-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-methoxycyclohexan-1-one is sourced from PubChem (CID 11806160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).