1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one

C23H26O — CID 168831038

IUPAC1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one
SMILESCCC(=O)C1C=C(c2ccc(C)cc2)C[C@H]1c1ccc(CC)cc1
InChIInChI=1S/C23H26O/c1-4-17-8-12-19(13-9-17)21-14-20(15-22(21)23(24)5-2)18-10-6-16(3)7-11-18/h6-13,15,21-22H,4-5,14H2,1-3H3/t21-,22?/m0/s1
InChIKeyVIXUOJJGOUVBTM-HMTLIYDFSA-N
MW318.46 g/mol
LogP5.72
Rot. Bonds5

About 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one

1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one (PubChem CID 168831038) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one
PubChem CID168831038
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one
SMILESCCC(=O)C1C=C(c2ccc(C)cc2)C[C@H]1c1ccc(CC)cc1
InChIInChI=1S/C23H26O/c1-4-17-8-12-19(13-9-17)21-14-20(15-22(21)23(24)5-2)18-10-6-16(3)7-11-18/h6-13,15,21-22H,4-5,14H2,1-3H3/t21-,22?/m0/s1
InChIKeyVIXUOJJGOUVBTM-HMTLIYDFSA-N
XLogP5.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-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 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one?
The IUPAC name of 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one (CID 168831038) is 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one.
What is the SMILES notation for 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one?
The canonical SMILES for 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one is CCC(=O)C1C=C(c2ccc(C)cc2)C[C@H]1c1ccc(CC)cc1.
What is the InChIKey of 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one?
The InChIKey is VIXUOJJGOUVBTM-HMTLIYDFSA-N. The full InChI is InChI=1S/C23H26O/c1-4-17-8-12-19(13-9-17)21-14-20(15-22(21)23(24)5-2)18-10-6-16(3)7-11-18/h6-13,15,21-22H,4-5,14H2,1-3H3/t21-,22?/m0/s1.
What are the key properties of 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one?
1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one has a molecular weight of 318.46 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-(4-ethylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]propan-1-one is sourced from PubChem (CID 168831038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).