3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol

C11H16O5 — CID 101015191

IUPAC3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol
SMILESCOc1c(O)ccc(CC(O)CO)c1OC
InChIInChI=1S/C11H16O5/c1-15-10-7(5-8(13)6-12)3-4-9(14)11(10)16-2/h3-4,8,12-14H,5-6H2,1-2H3
InChIKeyAZBPQNNCYSNYBF-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.31
Rot. Bonds5

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

3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol (PubChem CID 101015191) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol
PubChem CID101015191
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol
SMILESCOc1c(O)ccc(CC(O)CO)c1OC
InChIInChI=1S/C11H16O5/c1-15-10-7(5-8(13)6-12)3-4-9(14)11(10)16-2/h3-4,8,12-14H,5-6H2,1-2H3
InChIKeyAZBPQNNCYSNYBF-UHFFFAOYSA-N
XLogP0.31
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,3-dihydroxypropyl)-4-hydroxy-3-methoxyphenyl]prop-2-enoic acid
CID 68861862
3-ethenyl-4-ethyl-2-methoxyphenol
CID 174818849
2,3-dimethoxy-4-methylphenol;propane
CID 143012581
3-(4-hydroxynaphthalen-1-yl)-2-methoxypropanoic acid
CID 18003437
(1S,2R)-2-[4-[(2S)-2,3-dihydroxypropyl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 163186315
2-[4-(2,3-dihydroxypropyl)-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 162997031
3-ethyl-2-methoxy-4-propylphenol
CID 67547848
O-methyl 4-[(2R)-2,3-dihydroxypropyl]-3-methylsulfonylbenzenecarbothioate
CID 22877130
3-(2,3,4-triiodophenyl)propane-1,2-diol
CID 18362181
1-(2,3-dimethoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117438463
2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
CID 117301143
3-[4-hydroxy-2-(hydroxymethyl)-3-methoxyphenyl]propanoic acid
CID 153427175

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol?
The IUPAC name of 3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol (CID 101015191) is 3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol?
The canonical SMILES for 3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol is COc1c(O)ccc(CC(O)CO)c1OC.
What is the InChIKey of 3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol?
The InChIKey is AZBPQNNCYSNYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-15-10-7(5-8(13)6-12)3-4-9(14)11(10)16-2/h3-4,8,12-14H,5-6H2,1-2H3.
What are the key properties of 3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol?
3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol has a molecular weight of 228.24 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2,3-dimethoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 101015191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).