3,3-bis(4-methylphenyl)cyclopentan-1-one

C19H20O — CID 58095636

IUPAC3,3-bis(4-methylphenyl)cyclopentan-1-one
SMILESCc1ccc(C2(c3ccc(C)cc3)CCC(=O)C2)cc1
InChIInChI=1S/C19H20O/c1-14-3-7-16(8-4-14)19(12-11-18(20)13-19)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3
InChIKeyXPSZDPZAPXOAJF-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.34
Rot. Bonds2

About 3,3-bis(4-methylphenyl)cyclopentan-1-one

3,3-bis(4-methylphenyl)cyclopentan-1-one (PubChem CID 58095636) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3,3-bis(4-methylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3,3-bis(4-methylphenyl)cyclopentan-1-one
PubChem CID58095636
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name3,3-bis(4-methylphenyl)cyclopentan-1-one
SMILESCc1ccc(C2(c3ccc(C)cc3)CCC(=O)C2)cc1
InChIInChI=1S/C19H20O/c1-14-3-7-16(8-4-14)19(12-11-18(20)13-19)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3
InChIKeyXPSZDPZAPXOAJF-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Enzacamene
CID 6434217
1,3-Diphenyl-2-propanone
CID 7593
Bourgeonal
CID 64832
4-(p-Tolyl)-2-butanone
CID 5463908
4-Acetylbiphenyl
CID 7113
(+)-Turmerone
CID 160512
2-Methyl-6-(4-methylphenyl)hept-2-en-4-one
CID 558221
3-Benzyl-4-heptanone
CID 5463905
p-Phenylpropiophenone
CID 95230
1,1-Diphenylacetone
CID 69907
Vetikon
CID 81898
1,7-Diphenyl-4-hepten-3-one
CID 5316932

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methylphenyl)cyclopentan-1-one?
The IUPAC name of 3,3-bis(4-methylphenyl)cyclopentan-1-one (CID 58095636) is 3,3-bis(4-methylphenyl)cyclopentan-1-one.
What is the SMILES notation for 3,3-bis(4-methylphenyl)cyclopentan-1-one?
The canonical SMILES for 3,3-bis(4-methylphenyl)cyclopentan-1-one is Cc1ccc(C2(c3ccc(C)cc3)CCC(=O)C2)cc1.
What is the InChIKey of 3,3-bis(4-methylphenyl)cyclopentan-1-one?
The InChIKey is XPSZDPZAPXOAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-14-3-7-16(8-4-14)19(12-11-18(20)13-19)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3.
What are the key properties of 3,3-bis(4-methylphenyl)cyclopentan-1-one?
3,3-bis(4-methylphenyl)cyclopentan-1-one has a molecular weight of 264.37 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methylphenyl)cyclopentan-1-one is sourced from PubChem (CID 58095636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).