4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol

C11H16O6 — CID 138752381

IUPAC4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
SMILESCOc1cc(C=O)ccc1O.OCC(O)CO
InChIInChI=1S/C8H8O3.C3H8O3/c1-11-8-4-6(5-9)2-3-7(8)10;4-1-3(6)2-5/h2-5,10H,1H3;3-6H,1-2H2
InChIKeyVAFNUSFIJZTGFH-UHFFFAOYSA-N
MW244.24 g/mol
LogP-0.45
Rot. Bonds4

About 4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol

4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol (PubChem CID 138752381) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol.

Molecular Properties

Compound Name4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
PubChem CID138752381
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
SMILESCOc1cc(C=O)ccc1O.OCC(O)CO
InChIInChI=1S/C8H8O3.C3H8O3/c1-11-8-4-6(5-9)2-3-7(8)10;4-1-3(6)2-5/h2-5,10H,1H3;3-6H,1-2H2
InChIKeyVAFNUSFIJZTGFH-UHFFFAOYSA-N
XLogP-0.45
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 5-0.45
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

CID 130345281
CID 130345281
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde
CID 82849933
4-hydroxy-3-methoxybenzaldehyde;3-methylbutanoic acid
CID 134284747
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
4-(diethoxymethyl)-2-methoxyphenol;ethanol;4-hydroxy-3-methoxybenzaldehyde
CID 87710604
4-[(2R,3R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)butan-2-yl]oxy-3-methoxybenzaldehyde
CID 163996299
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
4-[1-(2,3-dihydroxypropoxy)-2-oxoethoxy]-3-methoxybenzaldehyde
CID 175050526

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol?
The IUPAC name of 4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol (CID 138752381) is 4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol.
What is the SMILES notation for 4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol?
The canonical SMILES for 4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol is COc1cc(C=O)ccc1O.OCC(O)CO.
What is the InChIKey of 4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol?
The InChIKey is VAFNUSFIJZTGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C3H8O3/c1-11-8-4-6(5-9)2-3-7(8)10;4-1-3(6)2-5/h2-5,10H,1H3;3-6H,1-2H2.
What are the key properties of 4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol?
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol has a molecular weight of 244.24 g/mol, XLogP of -0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol is sourced from PubChem (CID 138752381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).