5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde

C11H14O6 — CID 170818437

IUPAC5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde
SMILESCOc1cc(C(O)C(O)CO)c(C=O)cc1O
InChIInChI=1S/C11H14O6/c1-17-10-3-7(11(16)9(15)5-13)6(4-12)2-8(10)14/h2-4,9,11,13-16H,5H2,1H3
InChIKeyTUWIBUZEOJTGSY-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.40
Rot. Bonds5

About 5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde

5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde (PubChem CID 170818437) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde.

Molecular Properties

Compound Name5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde
PubChem CID170818437
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde
SMILESCOc1cc(C(O)C(O)CO)c(C=O)cc1O
InChIInChI=1S/C11H14O6/c1-17-10-3-7(11(16)9(15)5-13)6(4-12)2-8(10)14/h2-4,9,11,13-16H,5H2,1H3
InChIKeyTUWIBUZEOJTGSY-UHFFFAOYSA-N
XLogP-0.40
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde
CID 117300229
3-(2-formyl-4-hydroxy-5-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870828
2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818456
2-(3-azido-1,2-dihydroxypropyl)-4,5-dimethoxybenzaldehyde
CID 170826906
methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate
CID 117352583
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
5-hydroxy-4-methoxy-2-sulfanylbenzaldehyde
CID 90730057
4-(1,2-dihydroxy-4-sulfanylbutyl)-2,5-dimethoxybenzaldehyde
CID 171874983
9H-fluoren-9-ylmethyl N-[4-(2-formyl-5-hydroxy-4-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171887233
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
CID 138752381
2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
CID 169464063

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde?
The IUPAC name of 5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde (CID 170818437) is 5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde.
What is the SMILES notation for 5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde?
The canonical SMILES for 5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde is COc1cc(C(O)C(O)CO)c(C=O)cc1O.
What is the InChIKey of 5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde?
The InChIKey is TUWIBUZEOJTGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-17-10-3-7(11(16)9(15)5-13)6(4-12)2-8(10)14/h2-4,9,11,13-16H,5H2,1H3.
What are the key properties of 5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde?
5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde has a molecular weight of 242.23 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde is sourced from PubChem (CID 170818437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).