3-(3-methoxyphenoxy)cyclohexan-1-one

C13H16O3 — CID 79618587

IUPAC3-(3-methoxyphenoxy)cyclohexan-1-one
SMILESCOc1cccc(OC2CCCC(=O)C2)c1
InChIInChI=1S/C13H16O3/c1-15-11-5-3-7-13(9-11)16-12-6-2-4-10(14)8-12/h3,5,7,9,12H,2,4,6,8H2,1H3
InChIKeyWSJLAXOIDUATOO-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.59
Rot. Bonds3

About 3-(3-methoxyphenoxy)cyclohexan-1-one

3-(3-methoxyphenoxy)cyclohexan-1-one (PubChem CID 79618587) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)cyclohexan-1-one
PubChem CID79618587
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-(3-methoxyphenoxy)cyclohexan-1-one
SMILESCOc1cccc(OC2CCCC(=O)C2)c1
InChIInChI=1S/C13H16O3/c1-15-11-5-3-7-13(9-11)16-12-6-2-4-10(14)8-12/h3,5,7,9,12H,2,4,6,8H2,1H3
InChIKeyWSJLAXOIDUATOO-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-iodophenoxy)cyclohexan-1-one
CID 79618708
3-methoxy-5-(3-oxocyclohexyl)oxybenzonitrile
CID 103568025
3-(3-ethoxyphenoxy)cyclopentan-1-one
CID 79643582
3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-one
CID 79619017
(3R)-3-(3-methoxyphenyl)sulfanylcyclohexan-1-one
CID 102024528
3-(3-methoxyphenyl)cycloheptan-1-one
CID 64505032
3-(3-methylsulfonylphenoxy)cyclopentan-1-one
CID 79643685
3-(2,3-dimethylphenoxy)cyclohexan-1-one
CID 79618363
3-dibenzofuran-2-yloxycyclohexan-1-one
CID 79626669
3-(3-methoxyphenoxy)cyclobutan-1-amine
CID 66356689
3-(2,4-dimethylphenoxy)cyclohexan-1-one
CID 79617810
(2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one
CID 68642752

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)cyclohexan-1-one?
The IUPAC name of 3-(3-methoxyphenoxy)cyclohexan-1-one (CID 79618587) is 3-(3-methoxyphenoxy)cyclohexan-1-one.
What is the SMILES notation for 3-(3-methoxyphenoxy)cyclohexan-1-one?
The canonical SMILES for 3-(3-methoxyphenoxy)cyclohexan-1-one is COc1cccc(OC2CCCC(=O)C2)c1.
What is the InChIKey of 3-(3-methoxyphenoxy)cyclohexan-1-one?
The InChIKey is WSJLAXOIDUATOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-15-11-5-3-7-13(9-11)16-12-6-2-4-10(14)8-12/h3,5,7,9,12H,2,4,6,8H2,1H3.
What are the key properties of 3-(3-methoxyphenoxy)cyclohexan-1-one?
3-(3-methoxyphenoxy)cyclohexan-1-one has a molecular weight of 220.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)cyclohexan-1-one is sourced from PubChem (CID 79618587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).