4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol

C20H27NO4 — CID 134689869

IUPAC4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol
SMILESCCCCN(Cc1ccc(O)c(OC)c1)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C20H27NO4/c1-4-5-10-21(13-15-6-8-17(22)19(11-15)24-2)14-16-7-9-18(23)20(12-16)25-3/h6-9,11-12,22-23H,4-5,10,13-14H2,1-3H3
InChIKeyLBOLKQUGYRPJEI-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.92
Rot. Bonds9

About 4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol

4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol (PubChem CID 134689869) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol
PubChem CID134689869
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol
SMILESCCCCN(Cc1ccc(O)c(OC)c1)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C20H27NO4/c1-4-5-10-21(13-15-6-8-17(22)19(11-15)24-2)14-16-7-9-18(23)20(12-16)25-3/h6-9,11-12,22-23H,4-5,10,13-14H2,1-3H3
InChIKeyLBOLKQUGYRPJEI-UHFFFAOYSA-N
XLogP3.92
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol (CID 134689869) is 4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol is CCCCN(Cc1ccc(O)c(OC)c1)Cc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol?
The InChIKey is LBOLKQUGYRPJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4/c1-4-5-10-21(13-15-6-8-17(22)19(11-15)24-2)14-16-7-9-18(23)20(12-16)25-3/h6-9,11-12,22-23H,4-5,10,13-14H2,1-3H3.
What are the key properties of 4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol?
4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol has a molecular weight of 345.44 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 134689869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).