3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol

C18H23NO4 — CID 127031949

IUPAC3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O
InChIInChI=1S/C18H23NO4/c1-19(12-14-5-4-6-16(21)18(14)23-3)10-9-13-7-8-15(20)17(11-13)22-2/h4-8,11,20-21H,9-10,12H2,1-3H3
InChIKeyMOZKRTYYLZZUTA-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.79
Rot. Bonds7

About 3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol

3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol (PubChem CID 127031949) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol
PubChem CID127031949
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O
InChIInChI=1S/C18H23NO4/c1-19(12-14-5-4-6-16(21)18(14)23-3)10-9-13-7-8-15(20)17(11-13)22-2/h4-8,11,20-21H,9-10,12H2,1-3H3
InChIKeyMOZKRTYYLZZUTA-UHFFFAOYSA-N
XLogP2.79
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol 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-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol (CID 127031949) is 3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol is COc1cc(CCN(C)Cc2cccc(O)c2OC)ccc1O.
What is the InChIKey of 3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol?
The InChIKey is MOZKRTYYLZZUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-19(12-14-5-4-6-16(21)18(14)23-3)10-9-13-7-8-15(20)17(11-13)22-2/h4-8,11,20-21H,9-10,12H2,1-3H3.
What are the key properties of 3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol?
3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol has a molecular weight of 317.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 127031949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).