3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one

C20H18O — CID 139975422

IUPAC3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one
SMILESCC1=C(c2ccccc2)C(=O)C(c2ccccc2C)=C1C
InChIInChI=1S/C20H18O/c1-13-9-7-8-12-17(13)19-15(3)14(2)18(20(19)21)16-10-5-4-6-11-16/h4-12H,1-3H3
InChIKeyISGZNCHDNLLUOP-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.82
Rot. Bonds2

About 3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one

3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one (PubChem CID 139975422) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one
PubChem CID139975422
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one
SMILESCC1=C(c2ccccc2)C(=O)C(c2ccccc2C)=C1C
InChIInChI=1S/C20H18O/c1-13-9-7-8-12-17(13)19-15(3)14(2)18(20(19)21)16-10-5-4-6-11-16/h4-12H,1-3H3
InChIKeyISGZNCHDNLLUOP-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-phenylinden-1-one
CID 2750462
2-(2-fluorophenyl)-3-methyl-4,5-diphenylcyclopenta-2,4-dien-1-one
CID 71425669
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
3-acetyl-4-methyl-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 14170822
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
6-methyl-5-phenylcyclopenta[b]thiophen-4-one
CID 15618706
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
CID 56589911
4-methyl-1-phenylindeno[2,1-b]furan-2-one
CID 71416090

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one (CID 139975422) is 3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one is CC1=C(c2ccccc2)C(=O)C(c2ccccc2C)=C1C.
What is the InChIKey of 3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one?
The InChIKey is ISGZNCHDNLLUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-13-9-7-8-12-17(13)19-15(3)14(2)18(20(19)21)16-10-5-4-6-11-16/h4-12H,1-3H3.
What are the key properties of 3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one?
3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one has a molecular weight of 274.36 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 139975422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).