(E)-1,7-diphenylhept-4-en-3-one;ethane

C23H32O — CID 91159824

IUPAC(E)-1,7-diphenylhept-4-en-3-one;ethane
SMILESCC.CC.O=C(/C=C/CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H20O.2C2H6/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17;2*1-2/h1-6,8-12,14H,7,13,15-16H2;2*1-2H3/b14-8+;;
InChIKeyVKXOAYKCVQPOAR-JPMXUBAOSA-N
MW324.51 g/mol
LogP6.43
Rot. Bonds7

About (E)-1,7-diphenylhept-4-en-3-one;ethane

(E)-1,7-diphenylhept-4-en-3-one;ethane (PubChem CID 91159824) has the molecular formula C23H32O and a molecular weight of 324.51 g/mol. Its IUPAC name is (E)-1,7-diphenylhept-4-en-3-one;ethane.

Molecular Properties

Compound Name(E)-1,7-diphenylhept-4-en-3-one;ethane
PubChem CID91159824
Molecular FormulaC23H32O
Molecular Weight324.51 g/mol
Exact Mass324.25
IUPAC Name(E)-1,7-diphenylhept-4-en-3-one;ethane
SMILESCC.CC.O=C(/C=C/CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H20O.2C2H6/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17;2*1-2/h1-6,8-12,14H,7,13,15-16H2;2*1-2H3/b14-8+;;
InChIKeyVKXOAYKCVQPOAR-JPMXUBAOSA-N
XLogP6.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-phenyloct-4-en-3-one
CID 12588926
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
ethyl (E)-10-oxo-12-phenyldodec-8-enoate
CID 11652605
(E)-N-methyl-5-phenylpent-2-enamide
CID 11321418
dimethyl (Z)-2,3-bis[(E)-4-phenylbut-1-enyl]but-2-enedioate
CID 11211860
pent-3-enylbenzene
CID 519421
(E)-1-(4-methylphenyl)-5-phenylpent-2-en-1-one
CID 162644983
(4Z)-6-(hydroxymethyl)-1-phenylhepta-4,6-dien-3-one
CID 123406687
(Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 91715816
ethane;3-phenylpropanoyl chloride
CID 90742356
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 162400827
1-[4-(dimethylamino)phenyl]-5-phenylpent-1-en-3-one
CID 2750650

Frequently Asked Questions

What is the IUPAC name of (E)-1,7-diphenylhept-4-en-3-one;ethane?
The IUPAC name of (E)-1,7-diphenylhept-4-en-3-one;ethane (CID 91159824) is (E)-1,7-diphenylhept-4-en-3-one;ethane.
What is the SMILES notation for (E)-1,7-diphenylhept-4-en-3-one;ethane?
The canonical SMILES for (E)-1,7-diphenylhept-4-en-3-one;ethane is CC.CC.O=C(/C=C/CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of (E)-1,7-diphenylhept-4-en-3-one;ethane?
The InChIKey is VKXOAYKCVQPOAR-JPMXUBAOSA-N. The full InChI is InChI=1S/C19H20O.2C2H6/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17;2*1-2/h1-6,8-12,14H,7,13,15-16H2;2*1-2H3/b14-8+;;.
What are the key properties of (E)-1,7-diphenylhept-4-en-3-one;ethane?
(E)-1,7-diphenylhept-4-en-3-one;ethane has a molecular weight of 324.51 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,7-diphenylhept-4-en-3-one;ethane is sourced from PubChem (CID 91159824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).