4-(2-azaniumylethyl)-2-hydroxyphenolate

C8H11NO2 — CID 177477135

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IUPAC4-(2-azaniumylethyl)-2-hydroxyphenolate
SMILES[NH3+]CCc1ccc([O-])c(O)c1
InChIInChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
InChIKeyVYFYYTLLBUKUHU-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.75
Rot. Bonds2

About 4-(2-azaniumylethyl)-2-hydroxyphenolate

4-(2-azaniumylethyl)-2-hydroxyphenolate (PubChem CID 177477135) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(2-azaniumylethyl)-2-hydroxyphenolate.

Molecular Properties

Compound Name4-(2-azaniumylethyl)-2-hydroxyphenolate
PubChem CID177477135
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(2-azaniumylethyl)-2-hydroxyphenolate
SMILES[NH3+]CCc1ccc([O-])c(O)c1
InChIInChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
InChIKeyVYFYYTLLBUKUHU-UHFFFAOYSA-N
XLogP-0.75
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaniumylethyl)-2-hydroxyphenolate?
The IUPAC name of 4-(2-azaniumylethyl)-2-hydroxyphenolate (CID 177477135) is 4-(2-azaniumylethyl)-2-hydroxyphenolate.
What is the SMILES notation for 4-(2-azaniumylethyl)-2-hydroxyphenolate?
The canonical SMILES for 4-(2-azaniumylethyl)-2-hydroxyphenolate is [NH3+]CCc1ccc([O-])c(O)c1.
What is the InChIKey of 4-(2-azaniumylethyl)-2-hydroxyphenolate?
The InChIKey is VYFYYTLLBUKUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2.
What are the key properties of 4-(2-azaniumylethyl)-2-hydroxyphenolate?
4-(2-azaniumylethyl)-2-hydroxyphenolate has a molecular weight of 153.18 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaniumylethyl)-2-hydroxyphenolate is sourced from PubChem (CID 177477135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).