(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one

C17H16O2 — CID 101099005

IUPAC(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
SMILESCO/C(=C(\C)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(16(18)14-9-5-3-6-10-14)17(19-2)15-11-7-4-8-12-15/h3-12H,1-2H3/b17-13+
InChIKeySRBNJMZTZIHGBC-GHRIWEEISA-N
MW252.31 g/mol
LogP3.95
Rot. Bonds4

About (E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one

(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one (PubChem CID 101099005) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
PubChem CID101099005
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
SMILESCO/C(=C(\C)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(16(18)14-9-5-3-6-10-14)17(19-2)15-11-7-4-8-12-15/h3-12H,1-2H3/b17-13+
InChIKeySRBNJMZTZIHGBC-GHRIWEEISA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one
CID 102130770
3-methoxy-2,3-diphenylprop-2-enoic acid
CID 69030930
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
benzene;tetrakis(diphenylmethanone);ethane;methoxymethane;tris(propan-2-one)
CID 160674424
acetic acid;N-methoxyaniline
CID 174899473
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one (CID 101099005) is (E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one is CO/C(=C(\C)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one?
The InChIKey is SRBNJMZTZIHGBC-GHRIWEEISA-N. The full InChI is InChI=1S/C17H16O2/c1-13(16(18)14-9-5-3-6-10-14)17(19-2)15-11-7-4-8-12-15/h3-12H,1-2H3/b17-13+.
What are the key properties of (E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one?
(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one has a molecular weight of 252.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 101099005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).