5-methyl-1-benzofuran-3-ol

C9H8O2 — CID 54244519

IUPAC5-methyl-1-benzofuran-3-ol
SMILESCc1ccc2occ(O)c2c1
InChIInChI=1S/C9H8O2/c1-6-2-3-9-7(4-6)8(10)5-11-9/h2-5,10H,1H3
InChIKeyQSHSWEPLQGJFBP-UHFFFAOYSA-N
MW148.16 g/mol
LogP2.45
Rot. Bonds

About 5-methyl-1-benzofuran-3-ol

5-methyl-1-benzofuran-3-ol (PubChem CID 54244519) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-methyl-1-benzofuran-3-ol.

Molecular Properties

Compound Name5-methyl-1-benzofuran-3-ol
PubChem CID54244519
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name5-methyl-1-benzofuran-3-ol
SMILESCc1ccc2occ(O)c2c1
InChIInChI=1S/C9H8O2/c1-6-2-3-9-7(4-6)8(10)5-11-9/h2-5,10H,1H3
InChIKeyQSHSWEPLQGJFBP-UHFFFAOYSA-N
XLogP2.45
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-benzofuran-3-ol?
The IUPAC name of 5-methyl-1-benzofuran-3-ol (CID 54244519) is 5-methyl-1-benzofuran-3-ol.
What is the SMILES notation for 5-methyl-1-benzofuran-3-ol?
The canonical SMILES for 5-methyl-1-benzofuran-3-ol is Cc1ccc2occ(O)c2c1.
What is the InChIKey of 5-methyl-1-benzofuran-3-ol?
The InChIKey is QSHSWEPLQGJFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-6-2-3-9-7(4-6)8(10)5-11-9/h2-5,10H,1H3.
What are the key properties of 5-methyl-1-benzofuran-3-ol?
5-methyl-1-benzofuran-3-ol has a molecular weight of 148.16 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-benzofuran-3-ol is sourced from PubChem (CID 54244519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).