1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone

C17H24O3 — CID 116747950

IUPAC1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2cc(C)ccc2OC)CCCC1
InChIInChI=1S/C17H24O3/c1-4-20-17(9-5-6-10-17)16(18)12-14-11-13(2)7-8-15(14)19-3/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyOZZBVOVEIVENJO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.46
Rot. Bonds6

About 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone

1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 116747950) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID116747950
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2cc(C)ccc2OC)CCCC1
InChIInChI=1S/C17H24O3/c1-4-20-17(9-5-6-10-17)16(18)12-14-11-13(2)7-8-15(14)19-3/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyOZZBVOVEIVENJO-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)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-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747781
(1-ethoxycyclopentyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 116747941
1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116747686
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
1-(2-methoxy-5-methylphenyl)-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575518
(2,5-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116748454
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
2-(2-chloro-4-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748475
1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116579688
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone (CID 116747950) is 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone is CCOC1(C(=O)Cc2cc(C)ccc2OC)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is OZZBVOVEIVENJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-4-20-17(9-5-6-10-17)16(18)12-14-11-13(2)7-8-15(14)19-3/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone?
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 116747950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).