3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol

C9H11NO3 — CID 55292013

IUPAC3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1cc2c(cc1O)OCC2N
InChIInChI=1S/C9H11NO3/c1-12-9-2-5-6(10)4-13-8(5)3-7(9)11/h2-3,6,11H,4,10H2,1H3
InChIKeyQUWYHALJSUBOJG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.79
Rot. Bonds1

About 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol

3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 55292013) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol
PubChem CID55292013
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol
SMILESCOc1cc2c(cc1O)OCC2N
InChIInChI=1S/C9H11NO3/c1-12-9-2-5-6(10)4-13-8(5)3-7(9)11/h2-3,6,11H,4,10H2,1H3
InChIKeyQUWYHALJSUBOJG-UHFFFAOYSA-N
XLogP0.79
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
CID 55294789
3-(6-hydroxy-1,3-benzodioxol-5-yl)-6-methoxy-3,4-dihydro-2H-chromene-4,7-diol
CID 163164424
(1R)-1-amino-6-methoxy-2,3-dihydro-1H-inden-5-ol
CID 130688462
(3S)-5-ethoxy-6-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 130676187
9-methoxy-6a,11b-dihydro-6H-[1]benzofuro[2,3-c]chromene-3,10-diol
CID 46881109
3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
CID 86192290
(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130658442
3-amino-6-nitro-2,3-dihydro-1-benzofuran-5-ol
CID 130054168
3-amino-6,7-dimethoxy-2,3-dihydrochromen-4-one
CID 91622426
8-methoxydibenzo-p-dioxin-2,3,7-triol
CID 71171145
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol (CID 55292013) is 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol is COc1cc2c(cc1O)OCC2N.
What is the InChIKey of 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is QUWYHALJSUBOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-9-2-5-6(10)4-13-8(5)3-7(9)11/h2-3,6,11H,4,10H2,1H3.
What are the key properties of 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol?
3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 181.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 55292013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).