(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene

C43H64O — CID 163750701

IUPAC(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
SMILESC(=C/c1ccccc1)\c1ccccc1.CC.CC.CC.CC.CCC.CCC.O=C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O.C14H12.2C3H8.4C2H6/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-2;4*1-2/h1-12H;1-12H;2*3H2,1-2H3;4*1-2H3/b2*12-11+;;;;;;
InChIKeyLPTKXOHZAPMYFA-KNASSOMYSA-N
MW596.98 g/mol
LogP14.38
Rot. Bonds5

About (E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene

(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene (PubChem CID 163750701) has the molecular formula C43H64O and a molecular weight of 596.98 g/mol. Its IUPAC name is (E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene.

Molecular Properties

Compound Name(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
PubChem CID163750701
Molecular FormulaC43H64O
Molecular Weight596.98 g/mol
Exact Mass596.50
IUPAC Name(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
SMILESC(=C/c1ccccc1)\c1ccccc1.CC.CC.CC.CC.CCC.CCC.O=C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O.C14H12.2C3H8.4C2H6/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-2;4*1-2/h1-12H;1-12H;2*3H2,1-2H3;4*1-2H3/b2*12-11+;;;;;;
InChIKeyLPTKXOHZAPMYFA-KNASSOMYSA-N
XLogP14.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.98
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
1,3-diphenylprop-2-en-1-one;1H-pyrrole
CID 70390442
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
3-phenyl-1-(4-propylphenyl)prop-2-en-1-one
CID 162367124
bis((E)-1,3-diphenylprop-2-en-1-one);sulfane;2H-triazole
CID 174956941
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
benzaldehyde;carbanide;(E)-1,3-diphenylprop-2-en-1-one;ethane;1-phenylethanone;yttrium
CID 157490612
1-[4-(hydroxymethyl)phenyl]-3-phenylprop-2-en-1-one
CID 123882719

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene?
The IUPAC name of (E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene (CID 163750701) is (E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene.
What is the SMILES notation for (E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene?
The canonical SMILES for (E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene is C(=C/c1ccccc1)\c1ccccc1.CC.CC.CC.CC.CCC.CCC.O=C(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene?
The InChIKey is LPTKXOHZAPMYFA-KNASSOMYSA-N. The full InChI is InChI=1S/C15H12O.C14H12.2C3H8.4C2H6/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-2;4*1-2/h1-12H;1-12H;2*3H2,1-2H3;4*1-2H3/b2*12-11+;;;;;;.
What are the key properties of (E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene?
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene has a molecular weight of 596.98 g/mol, XLogP of 14.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene is sourced from PubChem (CID 163750701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).