3-(4-ethoxyphenyl)cyclopent-2-en-1-one

C13H14O2 — CID 39240486

IUPAC3-(4-ethoxyphenyl)cyclopent-2-en-1-one
SMILESCCOc1ccc(C2=CC(=O)CC2)cc1
InChIInChI=1S/C13H14O2/c1-2-15-13-7-4-10(5-8-13)11-3-6-12(14)9-11/h4-5,7-9H,2-3,6H2,1H3
InChIKeyJMZCVZAIYUYCDG-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.83
Rot. Bonds3

About 3-(4-ethoxyphenyl)cyclopent-2-en-1-one

3-(4-ethoxyphenyl)cyclopent-2-en-1-one (PubChem CID 39240486) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)cyclopent-2-en-1-one
PubChem CID39240486
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-(4-ethoxyphenyl)cyclopent-2-en-1-one
SMILESCCOc1ccc(C2=CC(=O)CC2)cc1
InChIInChI=1S/C13H14O2/c1-2-15-13-7-4-10(5-8-13)11-3-6-12(14)9-11/h4-5,7-9H,2-3,6H2,1H3
InChIKeyJMZCVZAIYUYCDG-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethoxyphenyl)-6-methylcyclohex-2-en-1-one
CID 14914996
(6R)-6-acetyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one
CID 765561
6-butyl-3-(4-ethoxyphenyl)cyclohex-2-en-1-one
CID 54046246
1-cyclohexa-1,3-dien-1-yl-4-ethoxybenzene
CID 145107392
3-(4-ethoxyphenyl)-7-methoxy-2H-chromene
CID 54751719
3-(4-butoxyphenyl)-6-methylcyclohex-2-en-1-one
CID 54007281
6-(4-ethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 169410334
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
(4-ethoxyphenyl)-methoxytin
CID 175724555
(4-ethoxyphenyl)-oxosulfanium
CID 174263309
4-(4-ethoxyphenyl)benzenesulfonic acid
CID 87969611
4-(4-ethoxyphenyl)benzamide
CID 163572533

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(4-ethoxyphenyl)cyclopent-2-en-1-one (CID 39240486) is 3-(4-ethoxyphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(4-ethoxyphenyl)cyclopent-2-en-1-one is CCOc1ccc(C2=CC(=O)CC2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)cyclopent-2-en-1-one?
The InChIKey is JMZCVZAIYUYCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-15-13-7-4-10(5-8-13)11-3-6-12(14)9-11/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)cyclopent-2-en-1-one?
3-(4-ethoxyphenyl)cyclopent-2-en-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 39240486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).