2-amino-4-ethoxyphenol

C8H11NO2 — CID 21492624

IUPAC2-amino-4-ethoxyphenol
SMILESCCOc1ccc(O)c(N)c1
InChIInChI=1S/C8H11NO2/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3
InChIKeyJYQPIZUBNCCGFV-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.37
Rot. Bonds2

About 2-amino-4-ethoxyphenol

2-amino-4-ethoxyphenol (PubChem CID 21492624) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-amino-4-ethoxyphenol.

Molecular Properties

Compound Name2-amino-4-ethoxyphenol
PubChem CID21492624
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-amino-4-ethoxyphenol
SMILESCCOc1ccc(O)c(N)c1
InChIInChI=1S/C8H11NO2/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3
InChIKeyJYQPIZUBNCCGFV-UHFFFAOYSA-N
XLogP1.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethoxyphenol?
The IUPAC name of 2-amino-4-ethoxyphenol (CID 21492624) is 2-amino-4-ethoxyphenol.
What is the SMILES notation for 2-amino-4-ethoxyphenol?
The canonical SMILES for 2-amino-4-ethoxyphenol is CCOc1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-ethoxyphenol?
The InChIKey is JYQPIZUBNCCGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,10H,2,9H2,1H3.
What are the key properties of 2-amino-4-ethoxyphenol?
2-amino-4-ethoxyphenol has a molecular weight of 153.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethoxyphenol is sourced from PubChem (CID 21492624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).