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

C10H13NO2 — CID 130619969

IUPAC(3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol
SMILESCCc1ccc(O)c2c1[C@@H](N)CO2
InChIInChI=1S/C10H13NO2/c1-2-6-3-4-8(12)10-9(6)7(11)5-13-10/h3-4,7,12H,2,5,11H2,1H3/t7-/m0/s1
InChIKeyZHCJLXYGPSJRTK-ZETCQYMHSA-N
MW179.22 g/mol
LogP1.35
Rot. Bonds1

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

(3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol (PubChem CID 130619969) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol.

Molecular Properties

Compound Name(3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol
PubChem CID130619969
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol
SMILESCCc1ccc(O)c2c1[C@@H](N)CO2
InChIInChI=1S/C10H13NO2/c1-2-6-3-4-8(12)10-9(6)7(11)5-13-10/h3-4,7,12H,2,5,11H2,1H3/t7-/m0/s1
InChIKeyZHCJLXYGPSJRTK-ZETCQYMHSA-N
XLogP1.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.35
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-ethyl-2,3-dihydro-1-benzofuran-7-ol?
The IUPAC name of (3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol (CID 130619969) is (3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol.
What is the SMILES notation for (3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol?
The canonical SMILES for (3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol is CCc1ccc(O)c2c1[C@@H](N)CO2.
What is the InChIKey of (3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol?
The InChIKey is ZHCJLXYGPSJRTK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-6-3-4-8(12)10-9(6)7(11)5-13-10/h3-4,7,12H,2,5,11H2,1H3/t7-/m0/s1.
What are the key properties of (3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol?
(3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol has a molecular weight of 179.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-ethyl-2,3-dihydro-1-benzofuran-7-ol is sourced from PubChem (CID 130619969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).