3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

C18H18O3 — CID 78787127

IUPAC3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccccc1C=CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18O3/c1-3-21-18-7-5-4-6-15(18)10-13-17(19)14-8-11-16(20-2)12-9-14/h4-13H,3H2,1-2H3
InChIKeyYXCZJHXAKSQQIX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.99
Rot. Bonds6

About 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 78787127) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID78787127
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccccc1C=CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18O3/c1-3-21-18-7-5-4-6-15(18)10-13-17(19)14-8-11-16(20-2)12-9-14/h4-13H,3H2,1-2H3
InChIKeyYXCZJHXAKSQQIX-UHFFFAOYSA-N
XLogP3.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830404
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
(4-acetylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 8764069
3-(2-tert-butyl-3,5-diethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 54336354
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127
(E)-3-(2-ethoxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 15944639
3-(2-ethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
CID 3465136
(E)-3-[2-(dimethylamino)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6058579
(E)-3-(3,5-diethoxy-2-methylphenyl)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 67778408

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 78787127) is 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is CCOc1ccccc1C=CC(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is YXCZJHXAKSQQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-21-18-7-5-4-6-15(18)10-13-17(19)14-8-11-16(20-2)12-9-14/h4-13H,3H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one?
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 78787127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).