2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one

C18H16O5 — CID 70071664

IUPAC2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one
SMILESCCOc1cc(-c2cc(=O)c3ccc(O)c(C)c3o2)ccc1O
InChIInChI=1S/C18H16O5/c1-3-22-17-8-11(4-6-14(17)20)16-9-15(21)12-5-7-13(19)10(2)18(12)23-16/h4-9,19-20H,3H2,1-2H3
InChIKeyYCOOFARNDCGACF-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.58
Rot. Bonds3

About 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one

2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one (PubChem CID 70071664) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one.

Molecular Properties

Compound Name2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one
PubChem CID70071664
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one
SMILESCCOc1cc(-c2cc(=O)c3ccc(O)c(C)c3o2)ccc1O
InChIInChI=1S/C18H16O5/c1-3-22-17-8-11(4-6-14(17)20)16-9-15(21)12-5-7-13(19)10(2)18(12)23-16/h4-9,19-20H,3H2,1-2H3
InChIKeyYCOOFARNDCGACF-UHFFFAOYSA-N
XLogP3.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-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 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one?
The IUPAC name of 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one (CID 70071664) is 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one.
What is the SMILES notation for 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one?
The canonical SMILES for 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one is CCOc1cc(-c2cc(=O)c3ccc(O)c(C)c3o2)ccc1O.
What is the InChIKey of 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one?
The InChIKey is YCOOFARNDCGACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-3-22-17-8-11(4-6-14(17)20)16-9-15(21)12-5-7-13(19)10(2)18(12)23-16/h4-9,19-20H,3H2,1-2H3.
What are the key properties of 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one?
2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-8-methylchromen-4-one is sourced from PubChem (CID 70071664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).