6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol

C19H21NO3 — CID 44625689

IUPAC6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol
SMILESCCN(C)Cc1cc2c(cc1O)OCC(c1ccc(O)cc1)=C2
InChIInChI=1S/C19H21NO3/c1-3-20(2)11-15-8-14-9-16(12-23-19(14)10-18(15)22)13-4-6-17(21)7-5-13/h4-10,21-22H,3,11-12H2,1-2H3
InChIKeyNOEGDVOWAMYKFI-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.48
Rot. Bonds4

About 6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol

6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol (PubChem CID 44625689) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol
PubChem CID44625689
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol
SMILESCCN(C)Cc1cc2c(cc1O)OCC(c1ccc(O)cc1)=C2
InChIInChI=1S/C19H21NO3/c1-3-20(2)11-15-8-14-9-16(12-23-19(14)10-18(15)22)13-4-6-17(21)7-5-13/h4-10,21-22H,3,11-12H2,1-2H3
InChIKeyNOEGDVOWAMYKFI-UHFFFAOYSA-N
XLogP3.48
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The IUPAC name of 6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol (CID 44625689) is 6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol.
What is the SMILES notation for 6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The canonical SMILES for 6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol is CCN(C)Cc1cc2c(cc1O)OCC(c1ccc(O)cc1)=C2.
What is the InChIKey of 6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The InChIKey is NOEGDVOWAMYKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-20(2)11-15-8-14-9-16(12-23-19(14)10-18(15)22)13-4-6-17(21)7-5-13/h4-10,21-22H,3,11-12H2,1-2H3.
What are the key properties of 6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol has a molecular weight of 311.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(methyl)amino]methyl]-3-(4-hydroxyphenyl)-2H-chromen-7-ol is sourced from PubChem (CID 44625689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).