3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol

C13H17NO3 — CID 43609955

IUPAC3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NC1CCOCC1
InChIInChI=1S/C13H17NO3/c15-10-1-2-11-12(8-17-13(11)7-10)14-9-3-5-16-6-4-9/h1-2,7,9,12,14-15H,3-6,8H2
InChIKeyFJPOBEVBFVHFNO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.59
Rot. Bonds2

About 3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol

3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43609955) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43609955
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESOc1ccc2c(c1)OCC2NC1CCOCC1
InChIInChI=1S/C13H17NO3/c15-10-1-2-11-12(8-17-13(11)7-10)14-9-3-5-16-6-4-9/h1-2,7,9,12,14-15H,3-6,8H2
InChIKeyFJPOBEVBFVHFNO-UHFFFAOYSA-N
XLogP1.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(oxan-4-ylamino)-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

3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499
4-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]cyclohexane-1-carboxamide
CID 43748903
3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 114544160
3-[(1-propylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43206706
3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43205194
3-[(1-butylpiperidin-4-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43748390
3-[(2-methylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43194977
3-[(2-tert-butylcyclohexyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 43673932
3-[(2,2-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79861874
3-(oxan-3-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 54906974
3-(2,6-dibromoanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 107596905
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 43609955) is 3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol is Oc1ccc2c(c1)OCC2NC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is FJPOBEVBFVHFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-10-1-2-11-12(8-17-13(11)7-10)14-9-3-5-16-6-4-9/h1-2,7,9,12,14-15H,3-6,8H2.
What are the key properties of 3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 235.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43609955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).