(4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one

C20H20O — CID 102350773

IUPAC(4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one
SMILESCC(=O)C/C(C)=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O/c1-16(13-17(2)21)14-20(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-12,14-15H,13H2,1-2H3/b16-14+,20-15-
InChIKeyMXVDBZZJWMWAOU-GEZYKDBCSA-N
MW276.38 g/mol
LogP5.15
Rot. Bonds5

About (4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one

(4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one (PubChem CID 102350773) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is (4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one.

Molecular Properties

Compound Name(4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one
PubChem CID102350773
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name(4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one
SMILESCC(=O)C/C(C)=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O/c1-16(13-17(2)21)14-20(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-12,14-15H,13H2,1-2H3/b16-14+,20-15-
InChIKeyMXVDBZZJWMWAOU-GEZYKDBCSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927310
(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927311
3-oxobutanoic acid;1-phenylethanone
CID 67450141
3-methyl-4-phenylbut-3-enamide
CID 23660
methyl (2E,4E)-2-(2-fluorophenyl)-4,5-diphenylpenta-2,4-dienoate
CID 166439926
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
N-[(E)-1,2-diphenylethenyl]acetamide
CID 42628257
4,5-diphenylpenta-2,4-dienoyl chloride
CID 54542291
methyl (2E,4E)-3,4,5-triphenylpenta-2,4-dienoate
CID 101482031
(3E,5Z)-3-methoxycarbonyl-6-(4-methoxyphenyl)-5-phenylhexa-3,5-dienoic acid
CID 15352566
(3Z,5E)-3-methoxycarbonyl-6-(4-methoxyphenyl)-5-phenylhexa-3,5-dienoic acid
CID 10689320
erbium;1-phenylbutane-1,3-dione
CID 175058632

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one?
The IUPAC name of (4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one (CID 102350773) is (4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one.
What is the SMILES notation for (4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one?
The canonical SMILES for (4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one is CC(=O)C/C(C)=C/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one?
The InChIKey is MXVDBZZJWMWAOU-GEZYKDBCSA-N. The full InChI is InChI=1S/C20H20O/c1-16(13-17(2)21)14-20(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-12,14-15H,13H2,1-2H3/b16-14+,20-15-.
What are the key properties of (4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one?
(4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one has a molecular weight of 276.38 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one is sourced from PubChem (CID 102350773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).