3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol

C18H18O4 — CID 145102527

IUPAC3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
SMILESCCOc1c(O)cccc1C1=C(C)c2cc(O)ccc2OC1
InChIInChI=1S/C18H18O4/c1-3-21-18-13(5-4-6-16(18)20)15-10-22-17-8-7-12(19)9-14(17)11(15)2/h4-9,19-20H,3,10H2,1-2H3
InChIKeySFFDRYGJEMQEAS-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.82
Rot. Bonds3

About 3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol

3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol (PubChem CID 145102527) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol.

Molecular Properties

Compound Name3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
PubChem CID145102527
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
SMILESCCOc1c(O)cccc1C1=C(C)c2cc(O)ccc2OC1
InChIInChI=1S/C18H18O4/c1-3-21-18-13(5-4-6-16(18)20)15-10-22-17-8-7-12(19)9-14(17)11(15)2/h4-9,19-20H,3,10H2,1-2H3
InChIKeySFFDRYGJEMQEAS-UHFFFAOYSA-N
XLogP3.82
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol 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-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol?
The IUPAC name of 3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol (CID 145102527) is 3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol.
What is the SMILES notation for 3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol?
The canonical SMILES for 3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol is CCOc1c(O)cccc1C1=C(C)c2cc(O)ccc2OC1.
What is the InChIKey of 3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol?
The InChIKey is SFFDRYGJEMQEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-3-21-18-13(5-4-6-16(18)20)15-10-22-17-8-7-12(19)9-14(17)11(15)2/h4-9,19-20H,3,10H2,1-2H3.
What are the key properties of 3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol?
3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol has a molecular weight of 298.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol is sourced from PubChem (CID 145102527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).