1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one

C18H24O3 — CID 166839083

IUPAC1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one
SMILESCC(=O)CC1CCCC(CC(=O)COc2ccccc2)C1
InChIInChI=1S/C18H24O3/c1-14(19)10-15-6-5-7-16(11-15)12-17(20)13-21-18-8-3-2-4-9-18/h2-4,8-9,15-16H,5-7,10-13H2,1H3
InChIKeyDMYHGVWGDCXGEM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.81
Rot. Bonds7

About 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one

1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one (PubChem CID 166839083) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one.

Molecular Properties

Compound Name1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one
PubChem CID166839083
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one
SMILESCC(=O)CC1CCCC(CC(=O)COc2ccccc2)C1
InChIInChI=1S/C18H24O3/c1-14(19)10-15-6-5-7-16(11-15)12-17(20)13-21-18-8-3-2-4-9-18/h2-4,8-9,15-16H,5-7,10-13H2,1H3
InChIKeyDMYHGVWGDCXGEM-UHFFFAOYSA-N
XLogP3.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-4-phenoxybutan-2-one
CID 65458336
1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
CID 105092134
(3-methylcyclohexyl) 2-phenoxyacetate
CID 78838655
N-[(3-bromocyclohexyl)methyl]-2-phenoxyacetamide
CID 114147724
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
2-(3-ethylcyclohexyl)-1-phenylethanone
CID 79428507
1-(2,6-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-one
CID 71395392
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid
CID 119224899
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 54786447
N-[(3-chlorocyclohexyl)methyl]-2-phenoxyethanamine
CID 114146369
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 102684381

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one?
The IUPAC name of 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one (CID 166839083) is 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one.
What is the SMILES notation for 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one?
The canonical SMILES for 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one is CC(=O)CC1CCCC(CC(=O)COc2ccccc2)C1.
What is the InChIKey of 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one?
The InChIKey is DMYHGVWGDCXGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-14(19)10-15-6-5-7-16(11-15)12-17(20)13-21-18-8-3-2-4-9-18/h2-4,8-9,15-16H,5-7,10-13H2,1H3.
What are the key properties of 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one?
1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one has a molecular weight of 288.39 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopropyl)cyclohexyl]-3-phenoxypropan-2-one is sourced from PubChem (CID 166839083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).