4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one

C18H16O — CID 13382755

IUPAC4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
SMILESCC1(C)C(=O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C18H16O/c1-18(2)16(14-11-7-4-8-12-14)15(17(18)19)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKeySGGXLHAWHODSIK-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.21
Rot. Bonds2

About 4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one

4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one (PubChem CID 13382755) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
PubChem CID13382755
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
SMILESCC1(C)C(=O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C18H16O/c1-18(2)16(14-11-7-4-8-12-14)15(17(18)19)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKeySGGXLHAWHODSIK-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,1,4,4-tetramethyl-3,6-bis[4-(N-phenylanilino)phenyl]pentalene-2,5-dione
CID 118655435
4,4-dimethyl-2-(4-methylthiophen-2-yl)-3-phenylcyclobut-2-en-1-one
CID 18969749
benzene;1,1,4,4-tetramethyl-3-[4-(N-methylanilino)phenyl]-6-[4-(N-phenylanilino)phenyl]pentalene-2,5-dione
CID 144723602
3-(4-chlorophenyl)-1,1-dimethyl-2-phenylindene
CID 135024717
4-methoxy-4-methyl-3-(4-methylsulfonylphenyl)-2-phenylcyclobut-2-en-1-one
CID 18969779
1,1-dimethyl-4-phenyl-3-propylnaphthalen-2-one
CID 132604356
2,2-dimethoxy-4,5-diphenylcyclopent-4-ene-1,3-dione
CID 135004291
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one
CID 44631650
3-[[di(propan-2-yl)amino]diazenyl]-4,4-dimethyl-2-phenylcyclobut-2-en-1-one
CID 122370364
(3aS,6aS)-3-methyl-3a,5,6,6a-tetraphenylcyclopenta[d](413C)triazol-4-one
CID 11123124
3-methyl-4-phenylpyrrole-2,5-dione
CID 54119912

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one?
The IUPAC name of 4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one (CID 13382755) is 4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one is CC1(C)C(=O)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one?
The InChIKey is SGGXLHAWHODSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-18(2)16(14-11-7-4-8-12-14)15(17(18)19)13-9-5-3-6-10-13/h3-12H,1-2H3.
What are the key properties of 4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one?
4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one has a molecular weight of 248.33 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one is sourced from PubChem (CID 13382755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).