2-methoxy-6-phenylcyclohexan-1-one

C13H16O2 — CID 135067102

IUPAC2-methoxy-6-phenylcyclohexan-1-one
SMILESCOC1CCCC(c2ccccc2)C1=O
InChIInChI=1S/C13H16O2/c1-15-12-9-5-8-11(13(12)14)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3
InChIKeyKGZFHYGCMNLAGO-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.54
Rot. Bonds2

About 2-methoxy-6-phenylcyclohexan-1-one

2-methoxy-6-phenylcyclohexan-1-one (PubChem CID 135067102) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methoxy-6-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-methoxy-6-phenylcyclohexan-1-one
PubChem CID135067102
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methoxy-6-phenylcyclohexan-1-one
SMILESCOC1CCCC(c2ccccc2)C1=O
InChIInChI=1S/C13H16O2/c1-15-12-9-5-8-11(13(12)14)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3
InChIKeyKGZFHYGCMNLAGO-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethoxydalbergione
CID 115019
Ethyl alpha-oxobenzenebutanoate
CID 562087
(-)-Menthyl phenylacetate
CID 9993505
5-Methoxy-1,7-diphenyl-3-heptanone
CID 5319430
2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(1-phenyl-2-propenyl)-
CID 189985
Methyl 2-oxo-3-phenylpropanoate
CID 562359
Ethyl 2-oxo-3-phenylpropanoate
CID 12292599
Ethyl 3-oxo-4-phenyl-2-(propan-2-yl)butanoate
CID 10490780
(2R,4R,6R)-4-hydroxy-2-methoxy-6-(1-phenylprop-2-enyl)cyclohexan-1-one
CID 11448344
(5s)-5-Methoxy-1,7-diphenylhept-3-one
CID 26437440
Ethanone, 1-(1-hydroxy-4-phenylcyclohexyl)-
CID 193111
4-Methoxy-1,6-diphenylhexan-2-one
CID 24881816

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-phenylcyclohexan-1-one?
The IUPAC name of 2-methoxy-6-phenylcyclohexan-1-one (CID 135067102) is 2-methoxy-6-phenylcyclohexan-1-one.
What is the SMILES notation for 2-methoxy-6-phenylcyclohexan-1-one?
The canonical SMILES for 2-methoxy-6-phenylcyclohexan-1-one is COC1CCCC(c2ccccc2)C1=O.
What is the InChIKey of 2-methoxy-6-phenylcyclohexan-1-one?
The InChIKey is KGZFHYGCMNLAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-12-9-5-8-11(13(12)14)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3.
What are the key properties of 2-methoxy-6-phenylcyclohexan-1-one?
2-methoxy-6-phenylcyclohexan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-phenylcyclohexan-1-one is sourced from PubChem (CID 135067102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).