3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile

C10H7NO2 — CID 13282141

IUPAC3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile
SMILESCc1ccc2oc(C#N)c(O)c2c1
InChIInChI=1S/C10H7NO2/c1-6-2-3-8-7(4-6)10(12)9(5-11)13-8/h2-4,12H,1H3
InChIKeyYEHBIISMPFQYSS-UHFFFAOYSA-N
MW173.17 g/mol
LogP2.32
Rot. Bonds

About 3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile

3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile (PubChem CID 13282141) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile
PubChem CID13282141
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile
SMILESCc1ccc2oc(C#N)c(O)c2c1
InChIInChI=1S/C10H7NO2/c1-6-2-3-8-7(4-6)10(12)9(5-11)13-8/h2-4,12H,1H3
InChIKeyYEHBIISMPFQYSS-UHFFFAOYSA-N
XLogP2.32
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile?
The IUPAC name of 3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile (CID 13282141) is 3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile?
The canonical SMILES for 3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile is Cc1ccc2oc(C#N)c(O)c2c1.
What is the InChIKey of 3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile?
The InChIKey is YEHBIISMPFQYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c1-6-2-3-8-7(4-6)10(12)9(5-11)13-8/h2-4,12H,1H3.
What are the key properties of 3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile?
3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile has a molecular weight of 173.17 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 13282141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).