4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol

C9H12FNO2S — CID 117309252

IUPAC4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(C(O)CN)c1F
InChIInChI=1S/C9H12FNO2S/c1-14-9-6(12)3-2-5(8(9)10)7(13)4-11/h2-3,7,12-13H,4,11H2,1H3
InChIKeySYLKJYROTIRXNN-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.25
Rot. Bonds3

About 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol

4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol (PubChem CID 117309252) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol
PubChem CID117309252
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(C(O)CN)c1F
InChIInChI=1S/C9H12FNO2S/c1-14-9-6(12)3-2-5(8(9)10)7(13)4-11/h2-3,7,12-13H,4,11H2,1H3
InChIKeySYLKJYROTIRXNN-UHFFFAOYSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol 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

4-(2-Amino-1-hydroxyethyl)-2-fluorophenol
CID 37722
4-(2-Amino-1-hydroxyethyl)-2-fluorophenol--hydrogen chloride (1/1)
CID 37721
4-(2-Amino-1-hydroxyethyl)-2-fluorophenol;hydrochloride
CID 15942739
4-[(1R)-2-amino-1-hydroxyethyl]-2-fluorophenol
CID 68864472
4-(2-Amino-1-hydroxyethyl)-3,5-difluorophenol
CID 84770929
4-[(1S)-2-amino-1-hydroxyethyl]-2-fluorophenol
CID 92169727
4-[(1S)-2-amino-1-hydroxyethyl]-3-fluorophenol
CID 96739964
4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol
CID 96739965
4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol
CID 96747483
4-[(1S,2R)-2-amino-1-hydroxypropyl]-3-fluorophenol
CID 96747484
4-[(1R,2S)-2-amino-1-hydroxypropyl]-2-fluorophenol
CID 96747489
4-[(1R,2R)-2-amino-1-hydroxypropyl]-2-fluorophenol
CID 96747490

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol (CID 117309252) is 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol is CSc1c(O)ccc(C(O)CN)c1F.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol?
The InChIKey is SYLKJYROTIRXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-14-9-6(12)3-2-5(8(9)10)7(13)4-11/h2-3,7,12-13H,4,11H2,1H3.
What are the key properties of 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol?
4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol has a molecular weight of 217.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxyethyl)-3-fluoro-2-methylsulfanylphenol is sourced from PubChem (CID 117309252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).