2-amino-5-(oxiran-2-ylmethoxy)phenol

C9H11NO3 — CID 142227282

IUPAC2-amino-5-(oxiran-2-ylmethoxy)phenol
SMILESNc1ccc(OCC2CO2)cc1O
InChIInChI=1S/C9H11NO3/c10-8-2-1-6(3-9(8)11)12-4-7-5-13-7/h1-3,7,11H,4-5,10H2
InChIKeyMAOWHBPGXUQDLD-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.75
Rot. Bonds3

About 2-amino-5-(oxiran-2-ylmethoxy)phenol

2-amino-5-(oxiran-2-ylmethoxy)phenol (PubChem CID 142227282) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-5-(oxiran-2-ylmethoxy)phenol.

Molecular Properties

Compound Name2-amino-5-(oxiran-2-ylmethoxy)phenol
PubChem CID142227282
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-amino-5-(oxiran-2-ylmethoxy)phenol
SMILESNc1ccc(OCC2CO2)cc1O
InChIInChI=1S/C9H11NO3/c10-8-2-1-6(3-9(8)11)12-4-7-5-13-7/h1-3,7,11H,4-5,10H2
InChIKeyMAOWHBPGXUQDLD-UHFFFAOYSA-N
XLogP0.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethyl)aniline
CID 87864519
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505
2-[4,6-bis[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-1,3,5-triazin-2-yl]-5-(oxiran-2-ylmethoxy)phenol
CID 147213170
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[2-(oxiran-2-yl)ethyl]-5-(oxiran-2-ylmethoxy)aniline
CID 174763555
[2-hydroxy-4-(oxiran-2-ylmethoxy)phenyl]-(2-hydroxyphenyl)methanone
CID 141433843
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
CID 130493263
(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
CID 40802006
6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
CID 123641845
[5-(oxiran-2-ylmethoxy)-1-benzofuran-2-yl]methanol
CID 123472629

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(oxiran-2-ylmethoxy)phenol?
The IUPAC name of 2-amino-5-(oxiran-2-ylmethoxy)phenol (CID 142227282) is 2-amino-5-(oxiran-2-ylmethoxy)phenol.
What is the SMILES notation for 2-amino-5-(oxiran-2-ylmethoxy)phenol?
The canonical SMILES for 2-amino-5-(oxiran-2-ylmethoxy)phenol is Nc1ccc(OCC2CO2)cc1O.
What is the InChIKey of 2-amino-5-(oxiran-2-ylmethoxy)phenol?
The InChIKey is MAOWHBPGXUQDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-8-2-1-6(3-9(8)11)12-4-7-5-13-7/h1-3,7,11H,4-5,10H2.
What are the key properties of 2-amino-5-(oxiran-2-ylmethoxy)phenol?
2-amino-5-(oxiran-2-ylmethoxy)phenol has a molecular weight of 181.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(oxiran-2-ylmethoxy)phenol is sourced from PubChem (CID 142227282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).