1-cycloheptyl-3-phenoxypropan-1-one

C16H22O2 — CID 82932359

IUPAC1-cycloheptyl-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)C1CCCCCC1
InChIInChI=1S/C16H22O2/c17-16(14-8-4-1-2-5-9-14)12-13-18-15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2
InChIKeyFAVJOENZVISTHB-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.99
Rot. Bonds5

About 1-cycloheptyl-3-phenoxypropan-1-one

1-cycloheptyl-3-phenoxypropan-1-one (PubChem CID 82932359) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cycloheptyl-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-cycloheptyl-3-phenoxypropan-1-one
PubChem CID82932359
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-cycloheptyl-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)C1CCCCCC1
InChIInChI=1S/C16H22O2/c17-16(14-8-4-1-2-5-9-14)12-13-18-15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2
InChIKeyFAVJOENZVISTHB-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64505245
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N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
1-[1-(3-phenoxypropyl)piperidin-4-yl]-6-piperidin-1-ylhexan-1-one
CID 57169720
1-cyclopentyl-3-(2,6-dichlorophenoxy)propan-1-one
CID 39387933
1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
CID 39349318
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
benzyl 3-(3-phenoxypropanoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171946985
1-cyclobutyl-4-phenoxybutan-2-one
CID 65458336

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-phenoxypropan-1-one?
The IUPAC name of 1-cycloheptyl-3-phenoxypropan-1-one (CID 82932359) is 1-cycloheptyl-3-phenoxypropan-1-one.
What is the SMILES notation for 1-cycloheptyl-3-phenoxypropan-1-one?
The canonical SMILES for 1-cycloheptyl-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-phenoxypropan-1-one?
The InChIKey is FAVJOENZVISTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c17-16(14-8-4-1-2-5-9-14)12-13-18-15-10-6-3-7-11-15/h3,6-7,10-11,14H,1-2,4-5,8-9,12-13H2.
What are the key properties of 1-cycloheptyl-3-phenoxypropan-1-one?
1-cycloheptyl-3-phenoxypropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-phenoxypropan-1-one is sourced from PubChem (CID 82932359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).