1-cyclobutyl-4-phenoxybutan-2-one

C14H18O2 — CID 65458336

IUPAC1-cyclobutyl-4-phenoxybutan-2-one
SMILESO=C(CCOc1ccccc1)CC1CCC1
InChIInChI=1S/C14H18O2/c15-13(11-12-5-4-6-12)9-10-16-14-7-2-1-3-8-14/h1-3,7-8,12H,4-6,9-11H2
InChIKeyCVIHMYDYSWKSFU-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.21
Rot. Bonds6

About 1-cyclobutyl-4-phenoxybutan-2-one

1-cyclobutyl-4-phenoxybutan-2-one (PubChem CID 65458336) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-cyclobutyl-4-phenoxybutan-2-one.

Molecular Properties

Compound Name1-cyclobutyl-4-phenoxybutan-2-one
PubChem CID65458336
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-cyclobutyl-4-phenoxybutan-2-one
SMILESO=C(CCOc1ccccc1)CC1CCC1
InChIInChI=1S/C14H18O2/c15-13(11-12-5-4-6-12)9-10-16-14-7-2-1-3-8-14/h1-3,7-8,12H,4-6,9-11H2
InChIKeyCVIHMYDYSWKSFU-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-one
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1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one
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1-methoxy-5-phenoxypentan-3-one
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1-phenoxyhexan-3-one
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N-[(3-chlorocyclohexyl)methyl]-2-phenoxyethanamine
CID 114146369
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506
1,1,1-trifluoro-5-phenoxypentan-3-one
CID 94504736
N-(2-chlorocyclopentyl)-3-phenoxypropanamide
CID 114189389
manganese;3-phenoxypropanoic acid;zirconium
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CID 124700081

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-phenoxybutan-2-one?
The IUPAC name of 1-cyclobutyl-4-phenoxybutan-2-one (CID 65458336) is 1-cyclobutyl-4-phenoxybutan-2-one.
What is the SMILES notation for 1-cyclobutyl-4-phenoxybutan-2-one?
The canonical SMILES for 1-cyclobutyl-4-phenoxybutan-2-one is O=C(CCOc1ccccc1)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-4-phenoxybutan-2-one?
The InChIKey is CVIHMYDYSWKSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-13(11-12-5-4-6-12)9-10-16-14-7-2-1-3-8-14/h1-3,7-8,12H,4-6,9-11H2.
What are the key properties of 1-cyclobutyl-4-phenoxybutan-2-one?
1-cyclobutyl-4-phenoxybutan-2-one has a molecular weight of 218.30 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-phenoxybutan-2-one is sourced from PubChem (CID 65458336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).