2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde

C10H12O5 — CID 170817732

IUPAC2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
SMILESO=Cc1c(O)cccc1C(O)C(O)CO
InChIInChI=1S/C10H12O5/c11-4-7-6(2-1-3-8(7)13)10(15)9(14)5-12/h1-4,9-10,12-15H,5H2
InChIKeyPUAUFBDMIVGAFU-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.41
Rot. Bonds4

About 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde

2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde (PubChem CID 170817732) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
PubChem CID170817732
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
SMILESO=Cc1c(O)cccc1C(O)C(O)CO
InChIInChI=1S/C10H12O5/c11-4-7-6(2-1-3-8(7)13)10(15)9(14)5-12/h1-4,9-10,12-15H,5H2
InChIKeyPUAUFBDMIVGAFU-UHFFFAOYSA-N
XLogP-0.41
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-1,2-dihydroxypropyl)-6-hydroxybenzaldehyde
CID 171861908
2-(4-bromo-1,2-dihydroxybutyl)-6-hydroxybenzaldehyde
CID 171891883
2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818456
2-(difluoromethyl)-6-hydroxybenzaldehyde
CID 84654276
2-hydroxy-6-propan-2-ylbenzaldehyde
CID 45096217
2-(4-amino-1,2-dihydroxybutyl)-6-fluorobenzaldehyde
CID 171881179
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
1-(2-ethenylphenyl)propane-1,2,3-triol
CID 170817426
3-(1,2,3-trihydroxypropyl)furan-2-carbaldehyde
CID 170817306
1-[2-(methylsulfonylmethyl)phenyl]propane-1,2,3-triol
CID 170818387
5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818437
1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde?
The IUPAC name of 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde (CID 170817732) is 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde is O=Cc1c(O)cccc1C(O)C(O)CO.
What is the InChIKey of 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde?
The InChIKey is PUAUFBDMIVGAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c11-4-7-6(2-1-3-8(7)13)10(15)9(14)5-12/h1-4,9-10,12-15H,5H2.
What are the key properties of 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde?
2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde has a molecular weight of 212.20 g/mol, XLogP of -0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(1,2,3-trihydroxypropyl)benzaldehyde is sourced from PubChem (CID 170817732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).