6-chloro-3-(3-ethoxyphenyl)chromen-4-one

C17H13ClO3 — CID 24720651

IUPAC6-chloro-3-(3-ethoxyphenyl)chromen-4-one
SMILESCCOc1cccc(-c2coc3ccc(Cl)cc3c2=O)c1
InChIInChI=1S/C17H13ClO3/c1-2-20-13-5-3-4-11(8-13)15-10-21-16-7-6-12(18)9-14(16)17(15)19/h3-10H,2H2,1H3
InChIKeyINCZUJVYGPQUSO-UHFFFAOYSA-N
MW300.74 g/mol
LogP4.51
Rot. Bonds3

About 6-chloro-3-(3-ethoxyphenyl)chromen-4-one

6-chloro-3-(3-ethoxyphenyl)chromen-4-one (PubChem CID 24720651) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is 6-chloro-3-(3-ethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-ethoxyphenyl)chromen-4-one
PubChem CID24720651
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Name6-chloro-3-(3-ethoxyphenyl)chromen-4-one
SMILESCCOc1cccc(-c2coc3ccc(Cl)cc3c2=O)c1
InChIInChI=1S/C17H13ClO3/c1-2-20-13-5-3-4-11(8-13)15-10-21-16-7-6-12(18)9-14(16)17(15)19/h3-10H,2H2,1H3
InChIKeyINCZUJVYGPQUSO-UHFFFAOYSA-N
XLogP4.51
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-(3-ethoxyphenyl)chromen-4-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 6-chloro-3-(3-ethoxyphenyl)chromen-4-one?
The IUPAC name of 6-chloro-3-(3-ethoxyphenyl)chromen-4-one (CID 24720651) is 6-chloro-3-(3-ethoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-3-(3-ethoxyphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-3-(3-ethoxyphenyl)chromen-4-one is CCOc1cccc(-c2coc3ccc(Cl)cc3c2=O)c1.
What is the InChIKey of 6-chloro-3-(3-ethoxyphenyl)chromen-4-one?
The InChIKey is INCZUJVYGPQUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3/c1-2-20-13-5-3-4-11(8-13)15-10-21-16-7-6-12(18)9-14(16)17(15)19/h3-10H,2H2,1H3.
What are the key properties of 6-chloro-3-(3-ethoxyphenyl)chromen-4-one?
6-chloro-3-(3-ethoxyphenyl)chromen-4-one has a molecular weight of 300.74 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-ethoxyphenyl)chromen-4-one is sourced from PubChem (CID 24720651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).