2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde

C9H11NO3 — CID 82408568

IUPAC2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde
SMILESNCC(O)c1ccc(O)cc1C=O
InChIInChI=1S/C9H11NO3/c10-4-9(13)8-2-1-7(12)3-6(8)5-11/h1-3,5,9,12-13H,4,10H2
InChIKeyDCRVBXCSJRTICO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.20
Rot. Bonds3

About 2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde

2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde (PubChem CID 82408568) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde
PubChem CID82408568
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde
SMILESNCC(O)c1ccc(O)cc1C=O
InChIInChI=1S/C9H11NO3/c10-4-9(13)8-2-1-7(12)3-6(8)5-11/h1-3,5,9,12-13H,4,10H2
InChIKeyDCRVBXCSJRTICO-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

5-hydroxy-2-propan-2-ylbenzaldehyde
CID 20673581
5-hydroxy-2-(4-oxobutan-2-yl)benzaldehyde
CID 117282912
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924
2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
CID 117279374
2-(2-amino-1-hydroxyethyl)-3-hydroxybenzaldehyde
CID 82408569
2-(4-azido-1,2-dihydroxybutyl)-5-hydroxybenzaldehyde
CID 171879326
ethane;4-hydroxyphthalaldehyde
CID 90973394
2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde
CID 57260630
4-(2-amino-1-hydroxyethyl)phenol;sulfurous acid
CID 11413666
2-(2-aminooxyethyl)-5-hydroxybenzaldehyde
CID 117278592
2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde
CID 117288299
5-hydroxy-2-(3-hydroxypropyl)benzaldehyde
CID 117278294

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde (CID 82408568) is 2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde is NCC(O)c1ccc(O)cc1C=O.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde?
The InChIKey is DCRVBXCSJRTICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-4-9(13)8-2-1-7(12)3-6(8)5-11/h1-3,5,9,12-13H,4,10H2.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-5-hydroxybenzaldehyde?
2-(2-amino-1-hydroxyethyl)-5-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)-5-hydroxybenzaldehyde is sourced from PubChem (CID 82408568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).