1-benzofuran-7-ylmethanol

C9H8O2 — CID 18787422

IUPAC1-benzofuran-7-ylmethanol
SMILESOCc1cccc2ccoc12
InChIInChI=1S/C9H8O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,10H,6H2
InChIKeyCROYZLIPNLVAHM-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.93
Rot. Bonds1

About 1-benzofuran-7-ylmethanol

1-benzofuran-7-ylmethanol (PubChem CID 18787422) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-benzofuran-7-ylmethanol.

Molecular Properties

Compound Name1-benzofuran-7-ylmethanol
PubChem CID18787422
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name1-benzofuran-7-ylmethanol
SMILESOCc1cccc2ccoc12
InChIInChI=1S/C9H8O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,10H,6H2
InChIKeyCROYZLIPNLVAHM-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-7-ylmethanol?
The IUPAC name of 1-benzofuran-7-ylmethanol (CID 18787422) is 1-benzofuran-7-ylmethanol.
What is the SMILES notation for 1-benzofuran-7-ylmethanol?
The canonical SMILES for 1-benzofuran-7-ylmethanol is OCc1cccc2ccoc12.
What is the InChIKey of 1-benzofuran-7-ylmethanol?
The InChIKey is CROYZLIPNLVAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,10H,6H2.
What are the key properties of 1-benzofuran-7-ylmethanol?
1-benzofuran-7-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-7-ylmethanol is sourced from PubChem (CID 18787422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).