1,3-diphenylprop-2-en-1-one;ethane

C23H36O — CID 91274718

IUPAC1,3-diphenylprop-2-en-1-one;ethane
SMILESCC.CC.CC.CC.O=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O.4C2H6/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;4*1-2/h1-12H;4*1-2H3
InChIKeyNKCQWVWIAMYXLK-UHFFFAOYSA-N
MW328.54 g/mol
LogP7.69
Rot. Bonds3

About 1,3-diphenylprop-2-en-1-one;ethane

1,3-diphenylprop-2-en-1-one;ethane (PubChem CID 91274718) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is 1,3-diphenylprop-2-en-1-one;ethane.

Molecular Properties

Compound Name1,3-diphenylprop-2-en-1-one;ethane
PubChem CID91274718
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name1,3-diphenylprop-2-en-1-one;ethane
SMILESCC.CC.CC.CC.O=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O.4C2H6/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;4*1-2/h1-12H;4*1-2H3
InChIKeyNKCQWVWIAMYXLK-UHFFFAOYSA-N
XLogP7.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 57.69
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)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
(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;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
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1,3-diphenylprop-2-en-1-one;1H-pyrrole
CID 70390442
benzaldehyde;carbanide;(E)-1,3-diphenylprop-2-en-1-one;ethane;1-phenylethanone;yttrium
CID 157490612
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylprop-2-en-1-one;ethane?
The IUPAC name of 1,3-diphenylprop-2-en-1-one;ethane (CID 91274718) is 1,3-diphenylprop-2-en-1-one;ethane.
What is the SMILES notation for 1,3-diphenylprop-2-en-1-one;ethane?
The canonical SMILES for 1,3-diphenylprop-2-en-1-one;ethane is CC.CC.CC.CC.O=C(C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylprop-2-en-1-one;ethane?
The InChIKey is NKCQWVWIAMYXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.4C2H6/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;4*1-2/h1-12H;4*1-2H3.
What are the key properties of 1,3-diphenylprop-2-en-1-one;ethane?
1,3-diphenylprop-2-en-1-one;ethane has a molecular weight of 328.54 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylprop-2-en-1-one;ethane is sourced from PubChem (CID 91274718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).