(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol

C16H14O6 — CID 11185720

IUPAC(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
SMILESO[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H14O6/c17-15(9-1-3-11-13(5-9)21-7-19-11)16(18)10-2-4-12-14(6-10)22-8-20-12/h1-6,15-18H,7-8H2/t15-,16-/m1/s1
InChIKeyZRPMNODCXDTMNY-HZPDHXFCSA-N
MW302.28 g/mol
LogP1.91
Rot. Bonds3

About (1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol

(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol (PubChem CID 11185720) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
PubChem CID11185720
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
SMILESO[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H14O6/c17-15(9-1-3-11-13(5-9)21-7-19-11)16(18)10-2-4-12-14(6-10)22-8-20-12/h1-6,15-18H,7-8H2/t15-,16-/m1/s1
InChIKeyZRPMNODCXDTMNY-HZPDHXFCSA-N
XLogP1.91
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024
1-(1,3-benzodioxol-5-yl)-2-bromopropan-1-ol
CID 12779709
1-(1,3-benzodioxol-5-yl)-3-chloropropane-1,2-diol
CID 171862183
1,3-benzodioxol-5-yl(bromo)methanol
CID 141431420
(2S,3R)-2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoic acid
CID 12792641
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534
1,3-benzodioxol-5-yl(trimethylsilyl)methanol
CID 12705761
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
(1S)-1-(1,3-benzodioxol-5-yl)prop-2-en-1-ol
CID 11651236
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(2R,3R)-1-(1,3-benzodioxol-5-yl)-2,3-bis(hydroxymethyl)-4-phenylbutane-1,4-diol
CID 134844140
methyl (2S)-2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoate
CID 70462401

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol?
The IUPAC name of (1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol (CID 11185720) is (1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol.
What is the SMILES notation for (1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol?
The canonical SMILES for (1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol is O[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2.
What is the InChIKey of (1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol?
The InChIKey is ZRPMNODCXDTMNY-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H14O6/c17-15(9-1-3-11-13(5-9)21-7-19-11)16(18)10-2-4-12-14(6-10)22-8-20-12/h1-6,15-18H,7-8H2/t15-,16-/m1/s1.
What are the key properties of (1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol?
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol has a molecular weight of 302.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 11185720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).