5-methyl-1,4-diphenylhex-4-en-2-one

C19H20O — CID 102590808

IUPAC5-methyl-1,4-diphenylhex-4-en-2-one
SMILESCC(C)=C(CC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-15(2)19(17-11-7-4-8-12-17)14-18(20)13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3
InChIKeyUYGWCCQFFVBBBI-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.68
Rot. Bonds5

About 5-methyl-1,4-diphenylhex-4-en-2-one

5-methyl-1,4-diphenylhex-4-en-2-one (PubChem CID 102590808) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-methyl-1,4-diphenylhex-4-en-2-one.

Molecular Properties

Compound Name5-methyl-1,4-diphenylhex-4-en-2-one
PubChem CID102590808
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name5-methyl-1,4-diphenylhex-4-en-2-one
SMILESCC(C)=C(CC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-15(2)19(17-11-7-4-8-12-17)14-18(20)13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3
InChIKeyUYGWCCQFFVBBBI-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
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4-methoxy-1-phenylpent-4-en-2-one
CID 143549548
ethyl 4-methyl-3-phenylpent-3-enoate
CID 14521609
1-phenylhexane-2,5-dione
CID 10035428
benzene;1-phenylpropan-2-one
CID 21430852
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381
[(E)-3-methyl-1-phenylpent-2-en-2-yl]benzene
CID 6432959
ethane-1,2-diol;[(E)-1,3,4-triphenylbut-2-en-2-yl]benzene
CID 70616201
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
1-iodo-3-phenylpropan-2-one
CID 11425437
3-oxobutanoic acid;2-phenylacetic acid
CID 91330939

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4-diphenylhex-4-en-2-one?
The IUPAC name of 5-methyl-1,4-diphenylhex-4-en-2-one (CID 102590808) is 5-methyl-1,4-diphenylhex-4-en-2-one.
What is the SMILES notation for 5-methyl-1,4-diphenylhex-4-en-2-one?
The canonical SMILES for 5-methyl-1,4-diphenylhex-4-en-2-one is CC(C)=C(CC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 5-methyl-1,4-diphenylhex-4-en-2-one?
The InChIKey is UYGWCCQFFVBBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-15(2)19(17-11-7-4-8-12-17)14-18(20)13-16-9-5-3-6-10-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 5-methyl-1,4-diphenylhex-4-en-2-one?
5-methyl-1,4-diphenylhex-4-en-2-one has a molecular weight of 264.37 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4-diphenylhex-4-en-2-one is sourced from PubChem (CID 102590808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).