(E)-1,4-diphenylhept-2-ene-1,6-dione

C19H18O2 — CID 12655089

IUPAC(E)-1,4-diphenylhept-2-ene-1,6-dione
SMILESCC(=O)CC(/C=C/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O2/c1-15(20)14-18(16-8-4-2-5-9-16)12-13-19(21)17-10-6-3-7-11-17/h2-13,18H,14H2,1H3/b13-12+
InChIKeyYVANNECUYUPGHO-OUKQBFOZSA-N
MW278.35 g/mol
LogP4.19
Rot. Bonds6

About (E)-1,4-diphenylhept-2-ene-1,6-dione

(E)-1,4-diphenylhept-2-ene-1,6-dione (PubChem CID 12655089) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (E)-1,4-diphenylhept-2-ene-1,6-dione.

Molecular Properties

Compound Name(E)-1,4-diphenylhept-2-ene-1,6-dione
PubChem CID12655089
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(E)-1,4-diphenylhept-2-ene-1,6-dione
SMILESCC(=O)CC(/C=C/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O2/c1-15(20)14-18(16-8-4-2-5-9-16)12-13-19(21)17-10-6-3-7-11-17/h2-13,18H,14H2,1H3/b13-12+
InChIKeyYVANNECUYUPGHO-OUKQBFOZSA-N
XLogP4.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E,4R)-4-phenyldodec-5-en-2-one
CID 11357371
(E)-4-phenyl-7-triethylsilyloxyhept-5-en-2-one
CID 10805540
1,2-diphenylpentane-1,4-dione
CID 13184730
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
(4S)-4-bromo-4-phenylbutan-2-one
CID 155045363
1,2,3-triphenylhexane-1,5-dione
CID 538859
dimethyl 2-[(E)-3-oxo-3-phenylprop-1-enyl]propanedioate
CID 102177491
(Z)-1-phenylpent-2-en-1-one
CID 91998885
4-phenyl-4-phosphanylbutan-2-one
CID 175348302
(E,4S)-4-(furan-3-yl)-6-phenylhex-5-en-2-one
CID 102311253
(E,4R)-4-methyl-1-phenylnon-2-en-1-one
CID 102273779
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737

Frequently Asked Questions

What is the IUPAC name of (E)-1,4-diphenylhept-2-ene-1,6-dione?
The IUPAC name of (E)-1,4-diphenylhept-2-ene-1,6-dione (CID 12655089) is (E)-1,4-diphenylhept-2-ene-1,6-dione.
What is the SMILES notation for (E)-1,4-diphenylhept-2-ene-1,6-dione?
The canonical SMILES for (E)-1,4-diphenylhept-2-ene-1,6-dione is CC(=O)CC(/C=C/C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,4-diphenylhept-2-ene-1,6-dione?
The InChIKey is YVANNECUYUPGHO-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H18O2/c1-15(20)14-18(16-8-4-2-5-9-16)12-13-19(21)17-10-6-3-7-11-17/h2-13,18H,14H2,1H3/b13-12+.
What are the key properties of (E)-1,4-diphenylhept-2-ene-1,6-dione?
(E)-1,4-diphenylhept-2-ene-1,6-dione has a molecular weight of 278.35 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-diphenylhept-2-ene-1,6-dione is sourced from PubChem (CID 12655089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).