2-aminophenol;2-hydroxybenzaldehyde

C13H13NO3 — CID 19389301

IUPAC2-aminophenol;2-hydroxybenzaldehyde
SMILESNc1ccccc1O.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H7NO/c8-5-6-3-1-2-4-7(6)9;7-5-3-1-2-4-6(5)8/h1-5,9H;1-4,8H,7H2
InChIKeyHXDBRKVFDBABBD-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.18
Rot. Bonds1

About 2-aminophenol;2-hydroxybenzaldehyde

2-aminophenol;2-hydroxybenzaldehyde (PubChem CID 19389301) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-aminophenol;2-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-aminophenol;2-hydroxybenzaldehyde
PubChem CID19389301
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-aminophenol;2-hydroxybenzaldehyde
SMILESNc1ccccc1O.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H7NO/c8-5-6-3-1-2-4-7(6)9;7-5-3-1-2-4-6(5)8/h1-5,9H;1-4,8H,7H2
InChIKeyHXDBRKVFDBABBD-UHFFFAOYSA-N
XLogP2.18
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-aminophenol;2-hydroxybenzaldehyde?
The IUPAC name of 2-aminophenol;2-hydroxybenzaldehyde (CID 19389301) is 2-aminophenol;2-hydroxybenzaldehyde.
What is the SMILES notation for 2-aminophenol;2-hydroxybenzaldehyde?
The canonical SMILES for 2-aminophenol;2-hydroxybenzaldehyde is Nc1ccccc1O.O=Cc1ccccc1O.
What is the InChIKey of 2-aminophenol;2-hydroxybenzaldehyde?
The InChIKey is HXDBRKVFDBABBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H7NO/c8-5-6-3-1-2-4-7(6)9;7-5-3-1-2-4-6(5)8/h1-5,9H;1-4,8H,7H2.
What are the key properties of 2-aminophenol;2-hydroxybenzaldehyde?
2-aminophenol;2-hydroxybenzaldehyde has a molecular weight of 231.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenol;2-hydroxybenzaldehyde is sourced from PubChem (CID 19389301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).