1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione

C20H20O2 — CID 101011630

IUPAC1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione
SMILESC=Cc1ccc(C(=O)CCC(C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C20H20O2/c1-3-16-9-11-18(12-10-16)20(22)14-13-19(15(2)21)17-7-5-4-6-8-17/h3-12,19H,1,13-14H2,2H3
InChIKeyRVUVGYDPMNJPGS-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.67
Rot. Bonds7

About 1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione

1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione (PubChem CID 101011630) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione
PubChem CID101011630
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione
SMILESC=Cc1ccc(C(=O)CCC(C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C20H20O2/c1-3-16-9-11-18(12-10-16)20(22)14-13-19(15(2)21)17-7-5-4-6-8-17/h3-12,19H,1,13-14H2,2H3
InChIKeyRVUVGYDPMNJPGS-UHFFFAOYSA-N
XLogP4.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
1-(4-ethenylphenyl)butane-1,3-dione
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1,4-diphenylhept-6-en-1-one
CID 22894004
2-chloro-1-(4-ethenylphenyl)-2-phenylethanone
CID 146008003
(Z)-3-phenylhept-5-en-2-one
CID 5363833
4-ethenylbenzoic acid;styrene
CID 22341601
N-(4-oxo-1,4-diphenylbutyl)acetamide
CID 13252857
chloroform;propan-2-one;styrene
CID 70453221
1-phenylethanone;styrene
CID 19811140
4-amino-1,4-diphenylbutan-1-one
CID 116570833
(2S)-2-phenylhex-5-enoic acid
CID 92982258
ethane;(3S)-3-phenyloctan-2-one;propane
CID 143356286

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione?
The IUPAC name of 1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione (CID 101011630) is 1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione.
What is the SMILES notation for 1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione?
The canonical SMILES for 1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione is C=Cc1ccc(C(=O)CCC(C(C)=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione?
The InChIKey is RVUVGYDPMNJPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-3-16-9-11-18(12-10-16)20(22)14-13-19(15(2)21)17-7-5-4-6-8-17/h3-12,19H,1,13-14H2,2H3.
What are the key properties of 1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione?
1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione has a molecular weight of 292.38 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-4-phenylhexane-1,5-dione is sourced from PubChem (CID 101011630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).