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

C17H18O2 — CID 146424659

IUPAC1,3-diphenylprop-2-en-1-one;ethanol
SMILESCCO.O=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O.C2H6O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-2-3/h1-12H;3H,2H2,1H3
InChIKeyJEJSBPWRDKEKRE-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.58
Rot. Bonds3

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

1,3-diphenylprop-2-en-1-one;ethanol (PubChem CID 146424659) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,3-diphenylprop-2-en-1-one;ethanol.

Molecular Properties

Compound Name1,3-diphenylprop-2-en-1-one;ethanol
PubChem CID146424659
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1,3-diphenylprop-2-en-1-one;ethanol
SMILESCCO.O=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O.C2H6O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-2-3/h1-12H;3H,2H2,1H3
InChIKeyJEJSBPWRDKEKRE-UHFFFAOYSA-N
XLogP3.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(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
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1,3-diphenylprop-2-en-1-one;1H-pyrrole
CID 70390442
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
ethanol;3-phenylprop-2-enoic acid
CID 158830805
1-[4-(hydroxymethyl)phenyl]-3-phenylprop-2-en-1-one
CID 123882719
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

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylprop-2-en-1-one;ethanol?
The IUPAC name of 1,3-diphenylprop-2-en-1-one;ethanol (CID 146424659) is 1,3-diphenylprop-2-en-1-one;ethanol.
What is the SMILES notation for 1,3-diphenylprop-2-en-1-one;ethanol?
The canonical SMILES for 1,3-diphenylprop-2-en-1-one;ethanol is CCO.O=C(C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylprop-2-en-1-one;ethanol?
The InChIKey is JEJSBPWRDKEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.C2H6O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-2-3/h1-12H;3H,2H2,1H3.
What are the key properties of 1,3-diphenylprop-2-en-1-one;ethanol?
1,3-diphenylprop-2-en-1-one;ethanol has a molecular weight of 254.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylprop-2-en-1-one;ethanol is sourced from PubChem (CID 146424659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).