1-benzofuran-3-ylmethanol

C9H8O2 — CID 3666346

IUPAC1-benzofuran-3-ylmethanol
SMILESOCc1coc2ccccc12
InChIInChI=1S/C9H8O2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10H,5H2
InChIKeyNTWWUWHQMMQLSI-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.93
Rot. Bonds1

About 1-benzofuran-3-ylmethanol

1-benzofuran-3-ylmethanol (PubChem CID 3666346) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-benzofuran-3-ylmethanol.

Molecular Properties

Compound Name1-benzofuran-3-ylmethanol
PubChem CID3666346
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name1-benzofuran-3-ylmethanol
SMILESOCc1coc2ccccc12
InChIInChI=1S/C9H8O2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10H,5H2
InChIKeyNTWWUWHQMMQLSI-UHFFFAOYSA-N
XLogP1.93
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-ylmethanol?
The IUPAC name of 1-benzofuran-3-ylmethanol (CID 3666346) is 1-benzofuran-3-ylmethanol.
What is the SMILES notation for 1-benzofuran-3-ylmethanol?
The canonical SMILES for 1-benzofuran-3-ylmethanol is OCc1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-ylmethanol?
The InChIKey is NTWWUWHQMMQLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10H,5H2.
What are the key properties of 1-benzofuran-3-ylmethanol?
1-benzofuran-3-ylmethanol has a molecular weight of 148.16 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-ylmethanol is sourced from PubChem (CID 3666346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).