2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde

C9H11NO3 — CID 82408569

IUPAC2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde
SMILESNCC(O)c1c(O)cccc1C=O
InChIInChI=1S/C9H11NO3/c10-4-8(13)9-6(5-11)2-1-3-7(9)12/h1-3,5,8,12-13H,4,10H2
InChIKeyJBGJFOUJESXAND-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.20
Rot. Bonds3

About 2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde

2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde (PubChem CID 82408569) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde
PubChem CID82408569
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde
SMILESNCC(O)c1c(O)cccc1C=O
InChIInChI=1S/C9H11NO3/c10-4-8(13)9-6(5-11)2-1-3-7(9)12/h1-3,5,8,12-13H,4,10H2
InChIKeyJBGJFOUJESXAND-UHFFFAOYSA-N
XLogP0.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-[1-hydroxy-2-(methylamino)ethyl]benzaldehyde
CID 82400506
3-hydroxy-2-propan-2-ylbenzaldehyde
CID 22259582
2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde
CID 82408568
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
CID 175387187
2-(2-amino-1-hydroxyethyl)-3-ethoxyphenol
CID 18627913
2,3-dihydroxybenzaldehyde
CID 159243971
1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde
CID 19867153
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
CID 117279374
aniline;2-hydroxybenzaldehyde
CID 159847329
2-(1,2-diaminoethoxy)benzaldehyde;2-hydroxybenzaldehyde
CID 87454191

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde (CID 82408569) is 2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde is NCC(O)c1c(O)cccc1C=O.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde?
The InChIKey is JBGJFOUJESXAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-4-8(13)9-6(5-11)2-1-3-7(9)12/h1-3,5,8,12-13H,4,10H2.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde?
2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde is sourced from PubChem (CID 82408569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).