1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol

C11H16O6 — CID 170819085

IUPAC1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
SMILESCOc1cc(O)c(C(O)C(O)CO)c(OC)c1
InChIInChI=1S/C11H16O6/c1-16-6-3-7(13)10(9(4-6)17-2)11(15)8(14)5-12/h3-4,8,11-15H,5H2,1-2H3
InChIKeyDLFXOCZYMIAAFZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP-0.20
Rot. Bonds5

About 1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol

1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol (PubChem CID 170819085) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
PubChem CID170819085
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
SMILESCOc1cc(O)c(C(O)C(O)CO)c(OC)c1
InChIInChI=1S/C11H16O6/c1-16-6-3-7(13)10(9(4-6)17-2)11(15)8(14)5-12/h3-4,8,11-15H,5H2,1-2H3
InChIKeyDLFXOCZYMIAAFZ-UHFFFAOYSA-N
XLogP-0.20
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxy-4,6-dimethoxyphenyl)-3-sulfanylpropane-1,2-diol
CID 170821135
(2R,3S)-3-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,2-diol
CID 23628905
1-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]propane-1,2,3-triol
CID 170818728
2-[(1R)-1-aminopropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207080
2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171226643
2-[(1S)-1,2-diaminoethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207071
2-[(1S)-1-amino-4-hydroxybutyl]-3,5-dimethoxyphenol;hydrochloride
CID 171226703
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dimethoxyphenol
CID 171248766
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol
CID 171263112
2-[(1R,2R)-2-hydroxy-3-methoxy-1-phenylpropyl]-3,5-dimethoxyphenol
CID 23628742
1-(2-hydroxy-4,6-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propan-2-one
CID 70289976
2-[(1R)-1-amino-2,2-difluoroethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171242035

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol (CID 170819085) is 1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol is COc1cc(O)c(C(O)C(O)CO)c(OC)c1.
What is the InChIKey of 1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol?
The InChIKey is DLFXOCZYMIAAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-16-6-3-7(13)10(9(4-6)17-2)11(15)8(14)5-12/h3-4,8,11-15H,5H2,1-2H3.
What are the key properties of 1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol?
1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol has a molecular weight of 244.24 g/mol, XLogP of -0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170819085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).