2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol

C13H12O3 — CID 86718690

IUPAC2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol
SMILESC=Cc1cc2c(O)c(C=C)oc2c(O)c1C
InChIInChI=1S/C13H12O3/c1-4-8-6-9-12(15)10(5-2)16-13(9)11(14)7(8)3/h4-6,14-15H,1-2H2,3H3
InChIKeyBQWCGYWQENBFMX-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.44
Rot. Bonds2

About 2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol

2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol (PubChem CID 86718690) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol.

Molecular Properties

Compound Name2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol
PubChem CID86718690
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol
SMILESC=Cc1cc2c(O)c(C=C)oc2c(O)c1C
InChIInChI=1S/C13H12O3/c1-4-8-6-9-12(15)10(5-2)16-13(9)11(14)7(8)3/h4-6,14-15H,1-2H2,3H3
InChIKeyBQWCGYWQENBFMX-UHFFFAOYSA-N
XLogP3.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol?
The IUPAC name of 2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol (CID 86718690) is 2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol.
What is the SMILES notation for 2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol?
The canonical SMILES for 2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol is C=Cc1cc2c(O)c(C=C)oc2c(O)c1C.
What is the InChIKey of 2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol?
The InChIKey is BQWCGYWQENBFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-4-8-6-9-12(15)10(5-2)16-13(9)11(14)7(8)3/h4-6,14-15H,1-2H2,3H3.
What are the key properties of 2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol?
2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol has a molecular weight of 216.24 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)-6-methyl-1-benzofuran-3,7-diol is sourced from PubChem (CID 86718690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).