2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one

C18H20O — CID 174984741

IUPAC2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
SMILESCCC1=C(CC)C(=O)C(C=Cc2ccccc2)C=C1
InChIInChI=1S/C18H20O/c1-3-15-12-13-16(18(19)17(15)4-2)11-10-14-8-6-5-7-9-14/h5-13,16H,3-4H2,1-2H3
InChIKeyPFIFQNHINMXJFB-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.57
Rot. Bonds4

About 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one

2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one (PubChem CID 174984741) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
PubChem CID174984741
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
SMILESCCC1=C(CC)C(=O)C(C=Cc2ccccc2)C=C1
InChIInChI=1S/C18H20O/c1-3-15-12-13-16(18(19)17(15)4-2)11-10-14-8-6-5-7-9-14/h5-13,16H,3-4H2,1-2H3
InChIKeyPFIFQNHINMXJFB-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one (CID 174984741) is 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one is CCC1=C(CC)C(=O)C(C=Cc2ccccc2)C=C1.
What is the InChIKey of 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one?
The InChIKey is PFIFQNHINMXJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-15-12-13-16(18(19)17(15)4-2)11-10-14-8-6-5-7-9-14/h5-13,16H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one?
2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one has a molecular weight of 252.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 174984741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).