2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one

C18H24O3 — CID 79577646

IUPAC2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one
SMILESC=CCc1cc(OCC)ccc1OCCC1CCCC1=O
InChIInChI=1S/C18H24O3/c1-3-6-15-13-16(20-4-2)9-10-18(15)21-12-11-14-7-5-8-17(14)19/h3,9-10,13-14H,1,4-8,11-12H2,2H3
InChIKeyOOOAWPSDRHFTND-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.95
Rot. Bonds8

About 2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one

2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one (PubChem CID 79577646) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one
PubChem CID79577646
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one
SMILESC=CCc1cc(OCC)ccc1OCCC1CCCC1=O
InChIInChI=1S/C18H24O3/c1-3-6-15-13-16(20-4-2)9-10-18(15)21-12-11-14-7-5-8-17(14)19/h3,9-10,13-14H,1,4-8,11-12H2,2H3
InChIKeyOOOAWPSDRHFTND-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one (CID 79577646) is 2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one is C=CCc1cc(OCC)ccc1OCCC1CCCC1=O.
What is the InChIKey of 2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one?
The InChIKey is OOOAWPSDRHFTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-3-6-15-13-16(20-4-2)9-10-18(15)21-12-11-14-7-5-8-17(14)19/h3,9-10,13-14H,1,4-8,11-12H2,2H3.
What are the key properties of 2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one?
2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one has a molecular weight of 288.39 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-2-prop-2-enylphenoxy)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79577646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).