3-(4-ethoxyphenyl)-7-hydroxychromen-4-one

C17H14O4 — CID 71406499

IUPAC3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
SMILESCCOc1ccc(-c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C17H14O4/c1-2-20-13-6-3-11(4-7-13)15-10-21-16-9-12(18)5-8-14(16)17(15)19/h3-10,18H,2H2,1H3
InChIKeyLGURYIYBCDLTGI-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.56
Rot. Bonds3

About 3-(4-ethoxyphenyl)-7-hydroxychromen-4-one

3-(4-ethoxyphenyl)-7-hydroxychromen-4-one (PubChem CID 71406499) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
PubChem CID71406499
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
SMILESCCOc1ccc(-c2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C17H14O4/c1-2-20-13-6-3-11(4-7-13)15-10-21-16-9-12(18)5-8-14(16)17(15)19/h3-10,18H,2H2,1H3
InChIKeyLGURYIYBCDLTGI-UHFFFAOYSA-N
XLogP3.56
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethoxyphenyl)-7-hydroxychromen-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 3-(4-ethoxyphenyl)-7-hydroxychromen-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)-7-hydroxychromen-4-one (CID 71406499) is 3-(4-ethoxyphenyl)-7-hydroxychromen-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-7-hydroxychromen-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-7-hydroxychromen-4-one is CCOc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-7-hydroxychromen-4-one?
The InChIKey is LGURYIYBCDLTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-2-20-13-6-3-11(4-7-13)15-10-21-16-9-12(18)5-8-14(16)17(15)19/h3-10,18H,2H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-7-hydroxychromen-4-one?
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-7-hydroxychromen-4-one is sourced from PubChem (CID 71406499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).