1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one

C23H24O — CID 130257761

IUPAC1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
SMILESCc1ccc(CC(=O)CCC2=CC=C(c3ccccc3)C2C)cc1
InChIInChI=1S/C23H24O/c1-17-8-10-19(11-9-17)16-22(24)14-12-20-13-15-23(18(20)2)21-6-4-3-5-7-21/h3-11,13,15,18H,12,14,16H2,1-2H3
InChIKeyWXZUBFDRSZLQDZ-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.55
Rot. Bonds6

About 1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one

1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one (PubChem CID 130257761) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
PubChem CID130257761
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
SMILESCc1ccc(CC(=O)CCC2=CC=C(c3ccccc3)C2C)cc1
InChIInChI=1S/C23H24O/c1-17-8-10-19(11-9-17)16-22(24)14-12-20-13-15-23(18(20)2)21-6-4-3-5-7-21/h3-11,13,15,18H,12,14,16H2,1-2H3
InChIKeyWXZUBFDRSZLQDZ-UHFFFAOYSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-phenylbutan-2-one
CID 130257789
4-[5-(2-cyclohexylethyl)-4-phenylcyclopenta-1,3-dien-1-yl]-1-(4-methylphenyl)butan-2-one
CID 130257561
1-[2-methoxy-5-(2-oxopropyl)phenyl]-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257768
1-(4-methoxyphenyl)-4-(4-phenyl-5-prop-2-enylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257533
4-(5-benzyl-4-phenylcyclopenta-1,3-dien-1-yl)-1-(2,6-dimethylphenyl)butan-2-one
CID 130257682
1-(2,6-dimethylphenyl)-4-(5-ethyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one
CID 130257521
1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
CID 62503294
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018
4-chloro-1-(4-methylphenyl)butan-2-one
CID 57318013
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
1-(4-tert-butylphenyl)-4-[5-ethyl-4-(3-methoxyphenyl)cyclopenta-1,3-dien-1-yl]butan-2-one
CID 130257961
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one (CID 130257761) is 1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one is Cc1ccc(CC(=O)CCC2=CC=C(c3ccccc3)C2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one?
The InChIKey is WXZUBFDRSZLQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-17-8-10-19(11-9-17)16-22(24)14-12-20-13-15-23(18(20)2)21-6-4-3-5-7-21/h3-11,13,15,18H,12,14,16H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one?
1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one has a molecular weight of 316.44 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(5-methyl-4-phenylcyclopenta-1,3-dien-1-yl)butan-2-one is sourced from PubChem (CID 130257761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).