1-cyclobutyl-2-(2-methoxyphenyl)ethanone

C13H16O2 — CID 61079535

IUPAC1-cyclobutyl-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)C1CCC1
InChIInChI=1S/C13H16O2/c1-15-13-8-3-2-5-11(13)9-12(14)10-6-4-7-10/h2-3,5,8,10H,4,6-7,9H2,1H3
InChIKeyBTWZRAFGJVPRGY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.61
Rot. Bonds4

About 1-cyclobutyl-2-(2-methoxyphenyl)ethanone

1-cyclobutyl-2-(2-methoxyphenyl)ethanone (PubChem CID 61079535) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(2-methoxyphenyl)ethanone
PubChem CID61079535
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-cyclobutyl-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)C1CCC1
InChIInChI=1S/C13H16O2/c1-15-13-8-3-2-5-11(13)9-12(14)10-6-4-7-10/h2-3,5,8,10H,4,6-7,9H2,1H3
InChIKeyBTWZRAFGJVPRGY-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
2-(2-methoxyphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 115997761
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
(Z)-3-cyclopropyl-4-(2-methoxyphenyl)but-2-enoic acid
CID 82082372
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019538
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone
CID 104756180

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(2-methoxyphenyl)ethanone (CID 61079535) is 1-cyclobutyl-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2-methoxyphenyl)ethanone?
The InChIKey is BTWZRAFGJVPRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-15-13-8-3-2-5-11(13)9-12(14)10-6-4-7-10/h2-3,5,8,10H,4,6-7,9H2,1H3.
What are the key properties of 1-cyclobutyl-2-(2-methoxyphenyl)ethanone?
1-cyclobutyl-2-(2-methoxyphenyl)ethanone has a molecular weight of 204.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 61079535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).