6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol

C16H12O5 — CID 10891372

IUPAC6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol
SMILESCOc1c2c(cc(O)c1-c1cc3ccccc3o1)OCO2
InChIInChI=1S/C16H12O5/c1-18-16-14(10(17)7-13-15(16)20-8-19-13)12-6-9-4-2-3-5-11(9)21-12/h2-7,17H,8H2,1H3
InChIKeyACHFSGOIKJNVJV-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.54
Rot. Bonds2

About 6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol

6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol (PubChem CID 10891372) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol
PubChem CID10891372
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol
SMILESCOc1c2c(cc(O)c1-c1cc3ccccc3o1)OCO2
InChIInChI=1S/C16H12O5/c1-18-16-14(10(17)7-13-15(16)20-8-19-13)12-6-9-4-2-3-5-11(9)21-12/h2-7,17H,8H2,1H3
InChIKeyACHFSGOIKJNVJV-UHFFFAOYSA-N
XLogP3.54
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol?
The IUPAC name of 6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol (CID 10891372) is 6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol is COc1c2c(cc(O)c1-c1cc3ccccc3o1)OCO2.
What is the InChIKey of 6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol?
The InChIKey is ACHFSGOIKJNVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-18-16-14(10(17)7-13-15(16)20-8-19-13)12-6-9-4-2-3-5-11(9)21-12/h2-7,17H,8H2,1H3.
What are the key properties of 6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol?
6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol has a molecular weight of 284.27 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-7-methoxy-1,3-benzodioxol-5-ol is sourced from PubChem (CID 10891372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).