6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol

C11H12ClNO3 — CID 83899131

IUPAC6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol
SMILESCc1cc2c(Cl)cc(C(O)CN)c(O)c2o1
InChIInChI=1S/C11H12ClNO3/c1-5-2-6-8(12)3-7(9(14)4-13)10(15)11(6)16-5/h2-3,9,14-15H,4,13H2,1H3
InChIKeyOJEDTKCUNYQPJU-UHFFFAOYSA-N
MW241.67 g/mol
LogP2.09
Rot. Bonds2

About 6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol

6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol (PubChem CID 83899131) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is 6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol.

Molecular Properties

Compound Name6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol
PubChem CID83899131
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol
SMILESCc1cc2c(Cl)cc(C(O)CN)c(O)c2o1
InChIInChI=1S/C11H12ClNO3/c1-5-2-6-8(12)3-7(9(14)4-13)10(15)11(6)16-5/h2-3,9,14-15H,4,13H2,1H3
InChIKeyOJEDTKCUNYQPJU-UHFFFAOYSA-N
XLogP2.09
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-amino-1-hydroxyethyl)-4-chloro-2,3-dimethylphenol
CID 83886888
4-chloro-7-hydroxy-2-methyl-1-benzofuran-6-carboxylic acid
CID 83892625
2-amino-1-(2,6-dimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol
CID 117364773
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
CID 83893998
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
7-chloro-2-methyl-5-propyl-1-benzofuran-4-ol
CID 70401899
1-(4,7-dichloro-1-benzofuran-2-yl)propan-1-ol
CID 65440506
3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
CID 84776533
2-(2-amino-1-hydroxyethyl)-4-ethyl-6-methylphenol
CID 83879423
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propan-2-ol
CID 115010389
2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol
CID 83894968

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol?
The IUPAC name of 6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol (CID 83899131) is 6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol.
What is the SMILES notation for 6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol?
The canonical SMILES for 6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol is Cc1cc2c(Cl)cc(C(O)CN)c(O)c2o1.
What is the InChIKey of 6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol?
The InChIKey is OJEDTKCUNYQPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-5-2-6-8(12)3-7(9(14)4-13)10(15)11(6)16-5/h2-3,9,14-15H,4,13H2,1H3.
What are the key properties of 6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol?
6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol has a molecular weight of 241.67 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1-hydroxyethyl)-4-chloro-2-methyl-1-benzofuran-7-ol is sourced from PubChem (CID 83899131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).