[2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol

C16H12O4 — CID 11380149

IUPAC[2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol
SMILESOCc1c(-c2ccc3c(c2)OCO3)oc2ccccc12
InChIInChI=1S/C16H12O4/c17-8-12-11-3-1-2-4-13(11)20-16(12)10-5-6-14-15(7-10)19-9-18-14/h1-7,17H,8-9H2
InChIKeyTVIZSGMVDSPYAK-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.32
Rot. Bonds2

About [2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol

[2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol (PubChem CID 11380149) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol
PubChem CID11380149
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name[2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol
SMILESOCc1c(-c2ccc3c(c2)OCO3)oc2ccccc12
InChIInChI=1S/C16H12O4/c17-8-12-11-3-1-2-4-13(11)20-16(12)10-5-6-14-15(7-10)19-9-18-14/h1-7,17H,8-9H2
InChIKeyTVIZSGMVDSPYAK-UHFFFAOYSA-N
XLogP3.32
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol?
The IUPAC name of [2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol (CID 11380149) is [2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol?
The canonical SMILES for [2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol is OCc1c(-c2ccc3c(c2)OCO3)oc2ccccc12.
What is the InChIKey of [2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol?
The InChIKey is TVIZSGMVDSPYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-8-12-11-3-1-2-4-13(11)20-16(12)10-5-6-14-15(7-10)19-9-18-14/h1-7,17H,8-9H2.
What are the key properties of [2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol?
[2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol has a molecular weight of 268.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yl)-1-benzofuran-3-yl]methanol is sourced from PubChem (CID 11380149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).