(3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol

C9H11NO2 — CID 130625995

IUPAC(3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol
SMILESCc1ccc(O)c2c1[C@@H](N)CO2
InChIInChI=1S/C9H11NO2/c1-5-2-3-7(11)9-8(5)6(10)4-12-9/h2-3,6,11H,4,10H2,1H3/t6-/m0/s1
InChIKeyYXWKMARUABSKMZ-LURJTMIESA-N
MW165.19 g/mol
LogP1.09
Rot. Bonds

About (3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol

(3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol (PubChem CID 130625995) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol.

Molecular Properties

Compound Name(3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol
PubChem CID130625995
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol
SMILESCc1ccc(O)c2c1[C@@H](N)CO2
InChIInChI=1S/C9H11NO2/c1-5-2-3-7(11)9-8(5)6(10)4-12-9/h2-3,6,11H,4,10H2,1H3/t6-/m0/s1
InChIKeyYXWKMARUABSKMZ-LURJTMIESA-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 (3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol?
The IUPAC name of (3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol (CID 130625995) is (3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol.
What is the SMILES notation for (3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol?
The canonical SMILES for (3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol is Cc1ccc(O)c2c1[C@@H](N)CO2.
What is the InChIKey of (3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol?
The InChIKey is YXWKMARUABSKMZ-LURJTMIESA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-2-3-7(11)9-8(5)6(10)4-12-9/h2-3,6,11H,4,10H2,1H3/t6-/m0/s1.
What are the key properties of (3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol?
(3R)-3-amino-4-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 (3R)-3-amino-4-methyl-2,3-dihydro-1-benzofuran-7-ol is sourced from PubChem (CID 130625995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).