5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol

C10H13NO3 — CID 83879252

IUPAC5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
SMILESNCC(O)c1cc2c(cc1O)OCC2
InChIInChI=1S/C10H13NO3/c11-5-9(13)7-3-6-1-2-14-10(6)4-8(7)12/h3-4,9,12-13H,1-2,5,11H2
InChIKeyZLKWLESWLZZCQF-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.32
Rot. Bonds2

About 5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol

5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 83879252) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID83879252
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol
SMILESNCC(O)c1cc2c(cc1O)OCC2
InChIInChI=1S/C10H13NO3/c11-5-9(13)7-3-6-1-2-14-10(6)4-8(7)12/h3-4,9,12-13H,1-2,5,11H2
InChIKeyZLKWLESWLZZCQF-UHFFFAOYSA-N
XLogP0.32
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298496
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
N',6-dihydroxy-2,3-dihydro-1-benzofuran-5-carboximidamide
CID 153262456
2-amino-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanol
CID 82241510
5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 22159429
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886
2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881709
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-2-ol
CID 115121170
2-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 83901568
6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484893

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol (CID 83879252) is 5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol is NCC(O)c1cc2c(cc1O)OCC2.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is ZLKWLESWLZZCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-5-9(13)7-3-6-1-2-14-10(6)4-8(7)12/h3-4,9,12-13H,1-2,5,11H2.
What are the key properties of 5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol?
5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 195.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxyethyl)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 83879252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).