1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one

C18H20O3 — CID 116751795

IUPAC1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one
SMILESCCOC(C(=O)Cc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H20O3/c1-3-21-18(14-9-5-4-6-10-14)16(19)13-15-11-7-8-12-17(15)20-2/h4-12,18H,3,13H2,1-2H3
InChIKeyKXAPQXZJUCNNPJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.58
Rot. Bonds7

About 1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one

1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one (PubChem CID 116751795) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one
PubChem CID116751795
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one
SMILESCCOC(C(=O)Cc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H20O3/c1-3-21-18(14-9-5-4-6-10-14)16(19)13-15-11-7-8-12-17(15)20-2/h4-12,18H,3,13H2,1-2H3
InChIKeyKXAPQXZJUCNNPJ-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-(2-methoxyphenyl)hexan-2-one
CID 116707998
1-ethoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-one
CID 116751593
3-(2-chloro-4-methylphenyl)-1-ethoxy-1-phenylpropan-2-one
CID 106867161
1-ethoxy-1-phenylpent-4-yn-2-one
CID 116751695
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one
CID 116751778
ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
CID 91380200
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062
1-methoxy-2-(2-phenyl-2-phosphorosoethyl)benzene
CID 69239959
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197
2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid
CID 119359065

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one?
The IUPAC name of 1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one (CID 116751795) is 1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one.
What is the SMILES notation for 1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one?
The canonical SMILES for 1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one is CCOC(C(=O)Cc1ccccc1OC)c1ccccc1.
What is the InChIKey of 1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one?
The InChIKey is KXAPQXZJUCNNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-21-18(14-9-5-4-6-10-14)16(19)13-15-11-7-8-12-17(15)20-2/h4-12,18H,3,13H2,1-2H3.
What are the key properties of 1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one?
1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-methoxyphenyl)-1-phenylpropan-2-one is sourced from PubChem (CID 116751795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).