5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one

C16H20O4 — CID 177422403

IUPAC5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one
SMILESCCOC1(OC)CC(C)=C(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C16H20O4/c1-5-20-16(19-4)10-11(2)14(15(16)17)12-6-8-13(18-3)9-7-12/h6-9H,5,10H2,1-4H3
InChIKeyGZSOKMZNUGTDGZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.82
Rot. Bonds5

About 5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one

5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one (PubChem CID 177422403) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one
PubChem CID177422403
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one
SMILESCCOC1(OC)CC(C)=C(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C16H20O4/c1-5-20-16(19-4)10-11(2)14(15(16)17)12-6-8-13(18-3)9-7-12/h6-9H,5,10H2,1-4H3
InChIKeyGZSOKMZNUGTDGZ-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one?
The IUPAC name of 5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one (CID 177422403) is 5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one is CCOC1(OC)CC(C)=C(c2ccc(OC)cc2)C1=O.
What is the InChIKey of 5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one?
The InChIKey is GZSOKMZNUGTDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-5-20-16(19-4)10-11(2)14(15(16)17)12-6-8-13(18-3)9-7-12/h6-9H,5,10H2,1-4H3.
What are the key properties of 5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one?
5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one has a molecular weight of 276.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-methoxy-2-(4-methoxyphenyl)-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 177422403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).