[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol

C15H17NO4 — CID 107742492

IUPAC[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
SMILESCOc1ccc(Oc2ccc(CO)cc2OC)c(N)c1
InChIInChI=1S/C15H17NO4/c1-18-11-4-6-13(12(16)8-11)20-14-5-3-10(9-17)7-15(14)19-2/h3-8,17H,9,16H2,1-2H3
InChIKeySRSQVWBDAOABOU-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.57
Rot. Bonds5

About [4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol

[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol (PubChem CID 107742492) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is [4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
PubChem CID107742492
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
SMILESCOc1ccc(Oc2ccc(CO)cc2OC)c(N)c1
InChIInChI=1S/C15H17NO4/c1-18-11-4-6-13(12(16)8-11)20-14-5-3-10(9-17)7-15(14)19-2/h3-8,17H,9,16H2,1-2H3
InChIKeySRSQVWBDAOABOU-UHFFFAOYSA-N
XLogP2.57
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol
CID 107708398
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
4-(2-amino-4-methoxyphenoxy)phenol
CID 22117697
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743803
3-amino-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzoic acid
CID 107744126
5-amino-6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-2-carboxylic acid
CID 107744136
2-chloro-4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107744001
[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
[3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol
CID 107743378

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol?
The IUPAC name of [4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol (CID 107742492) is [4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol is COc1ccc(Oc2ccc(CO)cc2OC)c(N)c1.
What is the InChIKey of [4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol?
The InChIKey is SRSQVWBDAOABOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-11-4-6-13(12(16)8-11)20-14-5-3-10(9-17)7-15(14)19-2/h3-8,17H,9,16H2,1-2H3.
What are the key properties of [4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol?
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol has a molecular weight of 275.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol is sourced from PubChem (CID 107742492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).