4-(2-amino-1-hydroxyethyl)-2-methoxyphenol

C9H13NO3 — CID 1237

IUPAC4-(2-amino-1-hydroxyethyl)-2-methoxyphenol
SMILESCOc1cc(C(O)CN)ccc1O
InChIInChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3
InChIKeyYNYAYWLBAHXHLL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds3

About 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol

4-(2-amino-1-hydroxyethyl)-2-methoxyphenol (PubChem CID 1237) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-2-methoxyphenol
PubChem CID1237
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-(2-amino-1-hydroxyethyl)-2-methoxyphenol
SMILESCOc1cc(C(O)CN)ccc1O
InChIInChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3
InChIKeyYNYAYWLBAHXHLL-UHFFFAOYSA-N
XLogP0.39
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol (CID 1237) is 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol is COc1cc(C(O)CN)ccc1O.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol?
The InChIKey is YNYAYWLBAHXHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3.
What are the key properties of 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol?
4-(2-amino-1-hydroxyethyl)-2-methoxyphenol has a molecular weight of 183.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol is sourced from PubChem (CID 1237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).