1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone

C18H26O — CID 65409288

IUPAC1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCCC1CCC(C(=O)Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H26O/c1-4-14-5-10-17(11-14)18(19)12-15-6-8-16(9-7-15)13(2)3/h6-9,13-14,17H,4-5,10-12H2,1-3H3
InChIKeyPDSMRNZWYUAMHU-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.75
Rot. Bonds5

About 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone

1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 65409288) has the molecular formula C18H26O and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID65409288
Molecular FormulaC18H26O
Molecular Weight258.41 g/mol
Exact Mass258.20
IUPAC Name1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCCC1CCC(C(=O)Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H26O/c1-4-14-5-10-17(11-14)18(19)12-15-6-8-16(9-7-15)13(2)3/h6-9,13-14,17H,4-5,10-12H2,1-3H3
InChIKeyPDSMRNZWYUAMHU-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone 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-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 171941294
1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
CID 104735977
2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64773768
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464
1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
CID 116547889
1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116579990
1-(3-ethylcyclopentyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347257
(E)-1-(4-propan-2-ylphenyl)hex-3-en-2-one
CID 103454334
4-ethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-one
CID 63399215
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968400

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone (CID 65409288) is 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone is CCC1CCC(C(=O)Cc2ccc(C(C)C)cc2)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is PDSMRNZWYUAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-4-14-5-10-17(11-14)18(19)12-15-6-8-16(9-7-15)13(2)3/h6-9,13-14,17H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 258.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 65409288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).