(E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one

C20H18O4 — CID 73353526

IUPAC(E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc2c(c1)C=C(/C=C/C(=O)c1ccccc1OC)CO2
InChIInChI=1S/C20H18O4/c1-22-16-8-10-19-15(12-16)11-14(13-24-19)7-9-18(21)17-5-3-4-6-20(17)23-2/h3-12H,13H2,1-2H3/b9-7+
InChIKeyKDYHCNPDOUTSQX-VQHVLOKHSA-N
MW322.36 g/mol
LogP3.92
Rot. Bonds5

About (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one

(E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 73353526) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID73353526
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc2c(c1)C=C(/C=C/C(=O)c1ccccc1OC)CO2
InChIInChI=1S/C20H18O4/c1-22-16-8-10-19-15(12-16)11-14(13-24-19)7-9-18(21)17-5-3-4-6-20(17)23-2/h3-12H,13H2,1-2H3/b9-7+
InChIKeyKDYHCNPDOUTSQX-VQHVLOKHSA-N
XLogP3.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one (CID 73353526) is (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one is COc1ccc2c(c1)C=C(/C=C/C(=O)c1ccccc1OC)CO2.
What is the InChIKey of (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is KDYHCNPDOUTSQX-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H18O4/c1-22-16-8-10-19-15(12-16)11-14(13-24-19)7-9-18(21)17-5-3-4-6-20(17)23-2/h3-12H,13H2,1-2H3/b9-7+.
What are the key properties of (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one?
(E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 322.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-methoxy-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 73353526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).