(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol

C8H8O4 — CID 853425

IUPAC(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol
SMILESO[C@@H]1Oc2ccccc2O[C@H]1O
InChIInChI=1S/C8H8O4/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4,7-10H/t7-,8-/m1/s1
InChIKeyOXKPADVJDHHVHQ-HTQZYQBOSA-N
MW168.15 g/mol
LogP0.09
Rot. Bonds

About (2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol

(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol (PubChem CID 853425) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol
PubChem CID853425
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol
SMILESO[C@@H]1Oc2ccccc2O[C@H]1O
InChIInChI=1S/C8H8O4/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4,7-10H/t7-,8-/m1/s1
InChIKeyOXKPADVJDHHVHQ-HTQZYQBOSA-N
XLogP0.09
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-chromen-2-ol
CID 164679988
1,3-benzodioxol-2-ylboronic acid
CID 54099086
(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine
CID 10534823
(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
CID 7177147
N,N-dimethyl-1,3-benzodioxol-2-amine
CID 4271632
carboxy 1,3-benzodioxole-2-carboxylate
CID 91476680
2-(1,3-benzodioxol-2-yl)-2-methylimidazolidine
CID 70472965
(3S,4R)-3-methyl-4-(nitromethyl)-3,4-dihydro-2H-chromen-2-ol
CID 53359511
(1S,9R,16S)-8,17-dioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-ol
CID 139180489
2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 78428488
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
CID 134958179

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol?
The IUPAC name of (2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol (CID 853425) is (2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol.
What is the SMILES notation for (2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol?
The canonical SMILES for (2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol is O[C@@H]1Oc2ccccc2O[C@H]1O.
What is the InChIKey of (2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol?
The InChIKey is OXKPADVJDHHVHQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H8O4/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4,7-10H/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol?
(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol has a molecular weight of 168.15 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol is sourced from PubChem (CID 853425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).