3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol

C9H11NO2 — CID 55293717

IUPAC3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol
SMILESCc1ccc2c(c1O)OCC2N
InChIInChI=1S/C9H11NO2/c1-5-2-3-6-7(10)4-12-9(6)8(5)11/h2-3,7,11H,4,10H2,1H3
InChIKeyPIQHEIRNSKFQLD-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.09
Rot. Bonds

About 3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol

3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol (PubChem CID 55293717) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol.

Molecular Properties

Compound Name3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol
PubChem CID55293717
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol
SMILESCc1ccc2c(c1O)OCC2N
InChIInChI=1S/C9H11NO2/c1-5-2-3-6-7(10)4-12-9(6)8(5)11/h2-3,7,11H,4,10H2,1H3
InChIKeyPIQHEIRNSKFQLD-UHFFFAOYSA-N
XLogP1.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol?
The IUPAC name of 3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol (CID 55293717) is 3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol.
What is the SMILES notation for 3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol?
The canonical SMILES for 3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol is Cc1ccc2c(c1O)OCC2N.
What is the InChIKey of 3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol?
The InChIKey is PIQHEIRNSKFQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-2-3-6-7(10)4-12-9(6)8(5)11/h2-3,7,11H,4,10H2,1H3.
What are the key properties of 3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol?
3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol has a molecular weight of 165.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-2,3-dihydro-1-benzofuran-7-ol is sourced from PubChem (CID 55293717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).