5-amino-2-hydroxy-3-methoxybenzaldehyde

C8H9NO3 — CID 155701195

IUPAC5-amino-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(N)cc(C=O)c1O
InChIInChI=1S/C8H9NO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,9H2,1H3
InChIKeyWMJQXDHLJUKONV-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.80
Rot. Bonds2

About 5-amino-2-hydroxy-3-methoxybenzaldehyde

5-amino-2-hydroxy-3-methoxybenzaldehyde (PubChem CID 155701195) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 5-amino-2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name5-amino-2-hydroxy-3-methoxybenzaldehyde
PubChem CID155701195
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name5-amino-2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(N)cc(C=O)c1O
InChIInChI=1S/C8H9NO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,9H2,1H3
InChIKeyWMJQXDHLJUKONV-UHFFFAOYSA-N
XLogP0.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
5-[2-(3-formyl-4-hydroxy-5-methoxyphenyl)ethyl]-2-hydroxy-3-methoxybenzaldehyde
CID 87078799
2-hydroxy-3-methoxy-5-(2-oxoethyl)benzaldehyde
CID 89289969
5-(2-aminophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224754
5-(3-amino-1,2-dihydroxypropyl)-2-hydroxy-3-methoxybenzaldehyde
CID 170828630
5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
CID 134891933
2-hydroxy-3-methoxy-5-propylbenzaldehyde
CID 14315769
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
5-amino-2-hydroxy-3-methoxybenzoic acid
CID 50883012
5-(3-bromoprop-1-enyl)-2-hydroxy-3-methoxybenzaldehyde
CID 169476016
2-hydroxy-3-methoxybenzaldehyde
CID 8991

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 5-amino-2-hydroxy-3-methoxybenzaldehyde (CID 155701195) is 5-amino-2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 5-amino-2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 5-amino-2-hydroxy-3-methoxybenzaldehyde is COc1cc(N)cc(C=O)c1O.
What is the InChIKey of 5-amino-2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is WMJQXDHLJUKONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,9H2,1H3.
What are the key properties of 5-amino-2-hydroxy-3-methoxybenzaldehyde?
5-amino-2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 167.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 155701195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).