(3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol

C16H14O5 — CID 91820221

IUPAC(3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OC[C@@H](c1cc3c(cc1O)OCO3)C2
InChIInChI=1S/C16H14O5/c17-11-2-1-9-3-10(7-19-14(9)4-11)12-5-15-16(6-13(12)18)21-8-20-15/h1-2,4-6,10,17-18H,3,7-8H2/t10-/m0/s1
InChIKeyCSVCGRYSLOYOMZ-JTQLQIEISA-N
MW286.28 g/mol
LogP2.55
Rot. Bonds1

About (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol

(3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 91820221) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID91820221
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OC[C@@H](c1cc3c(cc1O)OCO3)C2
InChIInChI=1S/C16H14O5/c17-11-2-1-9-3-10(7-19-14(9)4-11)12-5-15-16(6-13(12)18)21-8-20-15/h1-2,4-6,10,17-18H,3,7-8H2/t10-/m0/s1
InChIKeyCSVCGRYSLOYOMZ-JTQLQIEISA-N
XLogP2.55
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol (CID 91820221) is (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol is Oc1ccc2c(c1)OC[C@@H](c1cc3c(cc1O)OCO3)C2.
What is the InChIKey of (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is CSVCGRYSLOYOMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14O5/c17-11-2-1-9-3-10(7-19-14(9)4-11)12-5-15-16(6-13(12)18)21-8-20-15/h1-2,4-6,10,17-18H,3,7-8H2/t10-/m0/s1.
What are the key properties of (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol?
(3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 286.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 91820221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).