2-amino-6-(1-hydroxyethenyl)phenol

C8H9NO2 — CID 90138770

IUPAC2-amino-6-(1-hydroxyethenyl)phenol
SMILESC=C(O)c1cccc(N)c1O
InChIInChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,10-11H,1,9H2
InChIKeyOWHBIGCRIMAOPE-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.50
Rot. Bonds1

About 2-amino-6-(1-hydroxyethenyl)phenol

2-amino-6-(1-hydroxyethenyl)phenol (PubChem CID 90138770) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-amino-6-(1-hydroxyethenyl)phenol.

Molecular Properties

Compound Name2-amino-6-(1-hydroxyethenyl)phenol
PubChem CID90138770
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-amino-6-(1-hydroxyethenyl)phenol
SMILESC=C(O)c1cccc(N)c1O
InChIInChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,10-11H,1,9H2
InChIKeyOWHBIGCRIMAOPE-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-6-(1-hydroxyethenyl)phenol?
The IUPAC name of 2-amino-6-(1-hydroxyethenyl)phenol (CID 90138770) is 2-amino-6-(1-hydroxyethenyl)phenol.
What is the SMILES notation for 2-amino-6-(1-hydroxyethenyl)phenol?
The canonical SMILES for 2-amino-6-(1-hydroxyethenyl)phenol is C=C(O)c1cccc(N)c1O.
What is the InChIKey of 2-amino-6-(1-hydroxyethenyl)phenol?
The InChIKey is OWHBIGCRIMAOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,10-11H,1,9H2.
What are the key properties of 2-amino-6-(1-hydroxyethenyl)phenol?
2-amino-6-(1-hydroxyethenyl)phenol has a molecular weight of 151.16 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-hydroxyethenyl)phenol is sourced from PubChem (CID 90138770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).