4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one

C30H30O — CID 130257682

IUPAC4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one
SMILESCc1cccc(C)c1CC(=O)CCC1=CC=C(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C30H30O/c1-22-10-9-11-23(2)29(22)21-27(31)18-16-26-17-19-28(25-14-7-4-8-15-25)30(26)20-24-12-5-3-6-13-24/h3-15,17,19,30H,16,18,20-21H2,1-2H3
InChIKeyFNSVHBOTTSONQU-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.08
Rot. Bonds8

About 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one

4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one (PubChem CID 130257682) has the molecular formula C30H30O and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one
PubChem CID130257682
Molecular FormulaC30H30O
Molecular Weight406.57 g/mol
Exact Mass406.23
IUPAC Name4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one
SMILESCc1cccc(C)c1CC(=O)CCC1=CC=C(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C30H30O/c1-22-10-9-11-23(2)29(22)21-27(31)18-16-26-17-19-28(25-14-7-4-8-15-25)30(26)20-24-12-5-3-6-13-24/h3-15,17,19,30H,16,18,20-21H2,1-2H3
InChIKeyFNSVHBOTTSONQU-UHFFFAOYSA-N
XLogP7.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(2,6-dimethylphenyl)-4-(5-ethyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257521
4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-phenylbutan-2-one
CID 130257789
2-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)ethylbenzene
CID 140800431
4-[5-(2-cyclohexylethyl)-4-phenylcyclopenta-1,3-dien-1-yl]-1-(4-methylphenyl)butan-2-one
CID 130257561
1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257761
1-(4-methoxyphenyl)-4-(4-phenyl-5-prop-2-enylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257533
1-(4-ethylcyclopenta-1,3-dien-1-yl)-4-(4-phenyl-5-prop-2-enylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257529
1-(3-acetylphenyl)-4-[5-ethyl-4-[(3-phenylcyclopenta-2,4-dien-1-yl)methyl]cyclopenta-1,3-dien-1-yl]butan-2-one
CID 130257827
1-(4-tert-butylphenyl)-4-[5-ethyl-4-(3-methoxyphenyl)cyclopenta-1,3-dien-1-yl]butan-2-one
CID 130257961
1-cyclopentyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792473
1-[2-methoxy-5-(2-oxopropyl)phenyl]-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257768
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one?
The IUPAC name of 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one (CID 130257682) is 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one.
What is the SMILES notation for 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one?
The canonical SMILES for 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one is Cc1cccc(C)c1CC(=O)CCC1=CC=C(c2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one?
The InChIKey is FNSVHBOTTSONQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O/c1-22-10-9-11-23(2)29(22)21-27(31)18-16-26-17-19-28(25-14-7-4-8-15-25)30(26)20-24-12-5-3-6-13-24/h3-15,17,19,30H,16,18,20-21H2,1-2H3.
What are the key properties of 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one?
4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one has a molecular weight of 406.57 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one is sourced from PubChem (CID 130257682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).