3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one

C25H28O — CID 139975435

IUPAC3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one
SMILESCC1=C(c2ccc(C)c(C)c2C)C(=O)C(c2ccc(C)c(C)c2C)=C1C
InChIInChI=1S/C25H28O/c1-13-9-11-21(17(5)15(13)3)23-19(7)20(8)24(25(23)26)22-12-10-14(2)16(4)18(22)6/h9-12H,1-8H3
InChIKeyWVTOKMNCJMXUJQ-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.37
Rot. Bonds2

About 3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one

3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one (PubChem CID 139975435) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one
PubChem CID139975435
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one
SMILESCC1=C(c2ccc(C)c(C)c2C)C(=O)C(c2ccc(C)c(C)c2C)=C1C
InChIInChI=1S/C25H28O/c1-13-9-11-21(17(5)15(13)3)23-19(7)20(8)24(25(23)26)22-12-10-14(2)16(4)18(22)6/h9-12H,1-8H3
InChIKeyWVTOKMNCJMXUJQ-UHFFFAOYSA-N
XLogP6.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91568934
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one
CID 139975422
ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene
CID 144503009
1-(4-bromophenyl)-2,3,4-trimethylbenzene
CID 174839809
(2,3,4-trimethylphenyl)phosphane
CID 19864163
azane;2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene
CID 69111182
1,2-difluoro-4-methyl-5-(2,3,4-trimethylphenyl)benzene
CID 91261631
2,4,6-tris(2,3,4-trimethylphenyl)pyrimidine
CID 58604236
1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
CID 91338289
(2,3,4-trimethylphenyl)phosphane;hydrochloride
CID 173157555
lithium (2,3,4-trimethylphenyl)azanide
CID 141493779

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one?
The IUPAC name of 3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one (CID 139975435) is 3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one?
The canonical SMILES for 3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one is CC1=C(c2ccc(C)c(C)c2C)C(=O)C(c2ccc(C)c(C)c2C)=C1C.
What is the InChIKey of 3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one?
The InChIKey is WVTOKMNCJMXUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O/c1-13-9-11-21(17(5)15(13)3)23-19(7)20(8)24(25(23)26)22-12-10-14(2)16(4)18(22)6/h9-12H,1-8H3.
What are the key properties of 3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one?
3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one has a molecular weight of 344.50 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-bis(2,3,4-trimethylphenyl)cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 139975435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).