1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol

C11H16O4 — CID 71398900

IUPAC1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
SMILESCOc1cc(CC(O)C(C)O)ccc1O
InChIInChI=1S/C11H16O4/c1-7(12)10(14)5-8-3-4-9(13)11(6-8)15-2/h3-4,6-7,10,12-14H,5H2,1-2H3
InChIKeyZHTJWNGPKPVODR-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.69
Rot. Bonds4

About 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol

1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol (PubChem CID 71398900) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
PubChem CID71398900
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol
SMILESCOc1cc(CC(O)C(C)O)ccc1O
InChIInChI=1S/C11H16O4/c1-7(12)10(14)5-8-3-4-9(13)11(6-8)15-2/h3-4,6-7,10,12-14H,5H2,1-2H3
InChIKeyZHTJWNGPKPVODR-UHFFFAOYSA-N
XLogP0.69
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
4-(2-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 139528685
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
4-[2-(hydroxyamino)propyl]-2-methoxyphenol
CID 45091599
4-[4-(4-ethenyl-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 18716327
4-[(2R)-2-(ethylamino)propyl]-2-methoxyphenol
CID 100950888
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol
CID 155415603
methyl (3R)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methylbutanoate
CID 143847693
5-[4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-yl]-3-methoxybenzene-1,2-diol
CID 76535667

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol (CID 71398900) is 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol is COc1cc(CC(O)C(C)O)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol?
The InChIKey is ZHTJWNGPKPVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(12)10(14)5-8-3-4-9(13)11(6-8)15-2/h3-4,6-7,10,12-14H,5H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol?
1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol has a molecular weight of 212.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)butane-2,3-diol is sourced from PubChem (CID 71398900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).