2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone

C17H24O2 — CID 116747781

IUPAC2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(C)c(C)c2)CCCC1
InChIInChI=1S/C17H24O2/c1-4-19-17(9-5-6-10-17)16(18)12-15-8-7-13(2)14(3)11-15/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyUXUJBPDFIUXJOH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.76
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone

2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone (PubChem CID 116747781) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
PubChem CID116747781
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone
SMILESCCOC1(C(=O)Cc2ccc(C)c(C)c2)CCCC1
InChIInChI=1S/C17H24O2/c1-4-19-17(9-5-6-10-17)16(18)12-15-8-7-13(2)14(3)11-15/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyUXUJBPDFIUXJOH-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748329
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748406
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
2-(3,4-dimethylphenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447700
1-(1-ethoxycyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116747686
1-(1-ethoxycycloheptyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347390
1-(1-ethoxycyclopentyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116747950
1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
CID 116576667
2-(3-bromo-5-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanone
CID 116747912
2-(2-bromophenyl)-1-(1-ethoxycycloheptyl)ethanone
CID 116750764
2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62880387

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone (CID 116747781) is 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone is CCOC1(C(=O)Cc2ccc(C)c(C)c2)CCCC1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone?
The InChIKey is UXUJBPDFIUXJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-19-17(9-5-6-10-17)16(18)12-15-8-7-13(2)14(3)11-15/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone?
2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-ethoxycyclopentyl)ethanone is sourced from PubChem (CID 116747781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).