(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one

C19H20O5 — CID 70016951

IUPAC(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C(=O)/C=C/c2cc(OC)cc(OC)c2OC)c1
InChIInChI=1S/C19H20O5/c1-21-15-7-5-6-13(10-15)17(20)9-8-14-11-16(22-2)12-18(23-3)19(14)24-4/h5-12H,1-4H3/b9-8+
InChIKeySUUDSDSIVKQNSL-CMDGGOBGSA-N
MW328.36 g/mol
LogP3.62
Rot. Bonds7

About (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one

(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 70016951) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID70016951
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cccc(C(=O)/C=C/c2cc(OC)cc(OC)c2OC)c1
InChIInChI=1S/C19H20O5/c1-21-15-7-5-6-13(10-15)17(20)9-8-14-11-16(22-2)12-18(23-3)19(14)24-4/h5-12H,1-4H3/b9-8+
InChIKeySUUDSDSIVKQNSL-CMDGGOBGSA-N
XLogP3.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)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

2-[3-[3-(2,3,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 146315478
1,3-bis(2,3,5-trimethoxyphenyl)prop-2-en-1-one
CID 54466705
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464
3-(4-ethoxy-3,5-dimethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 76879740
(E)-3-(2,5-difluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 52643172
3-(2,5-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 2860349
3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 78541367
(E)-3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 7784056
(E)-3-(2,5-dimethoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]prop-2-en-1-one
CID 10316180
1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
CID 10443032
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one (CID 70016951) is (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one is COc1cccc(C(=O)/C=C/c2cc(OC)cc(OC)c2OC)c1.
What is the InChIKey of (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is SUUDSDSIVKQNSL-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H20O5/c1-21-15-7-5-6-13(10-15)17(20)9-8-14-11-16(22-2)12-18(23-3)19(14)24-4/h5-12H,1-4H3/b9-8+.
What are the key properties of (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one?
(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 328.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 70016951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).