(E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one

C19H20O3 — CID 19567078

IUPAC(E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1C(=O)/C=C/c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H20O3/c1-14(2)22-16-11-8-15(9-12-16)10-13-18(20)17-6-4-5-7-19(17)21-3/h4-14H,1-3H3/b13-10+
InChIKeyGXDSJVJEOFFVMU-JLHYYAGUSA-N
MW296.37 g/mol
LogP4.38
Rot. Bonds6

About (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one

(E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one (PubChem CID 19567078) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
PubChem CID19567078
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1C(=O)/C=C/c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H20O3/c1-14(2)22-16-11-8-15(9-12-16)10-13-18(20)17-6-4-5-7-19(17)21-3/h4-14H,1-3H3/b13-10+
InChIKeyGXDSJVJEOFFVMU-JLHYYAGUSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one (CID 19567078) is (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one is COc1ccccc1C(=O)/C=C/c1ccc(OC(C)C)cc1.
What is the InChIKey of (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one?
The InChIKey is GXDSJVJEOFFVMU-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H20O3/c1-14(2)22-16-11-8-15(9-12-16)10-13-18(20)17-6-4-5-7-19(17)21-3/h4-14H,1-3H3/b13-10+.
What are the key properties of (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one?
(E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one has a molecular weight of 296.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 19567078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).