4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol

C9H12FNO3 — CID 66514027

IUPAC4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
SMILESCOc1cc([C@@H](N)CO)c(F)cc1O
InChIInChI=1S/C9H12FNO3/c1-14-9-2-5(7(11)4-12)6(10)3-8(9)13/h2-3,7,12-13H,4,11H2,1H3/t7-/m0/s1
InChIKeyXKIUQTAKWUXGHJ-ZETCQYMHSA-N
MW201.20 g/mol
LogP0.53
Rot. Bonds3

About 4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol

4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol (PubChem CID 66514027) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
PubChem CID66514027
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
SMILESCOc1cc([C@@H](N)CO)c(F)cc1O
InChIInChI=1S/C9H12FNO3/c1-14-9-2-5(7(11)4-12)6(10)3-8(9)13/h2-3,7,12-13H,4,11H2,1H3/t7-/m0/s1
InChIKeyXKIUQTAKWUXGHJ-ZETCQYMHSA-N
XLogP0.53
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol
CID 77131047
2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
CID 84711161
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-[(1S)-1-amino-2-hydroxyethyl]-4-methoxy-5-methylphenol
CID 55277131
2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117330301
2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol?
The IUPAC name of 4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol (CID 66514027) is 4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol.
What is the SMILES notation for 4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol?
The canonical SMILES for 4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol is COc1cc([C@@H](N)CO)c(F)cc1O.
What is the InChIKey of 4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol?
The InChIKey is XKIUQTAKWUXGHJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-14-9-2-5(7(11)4-12)6(10)3-8(9)13/h2-3,7,12-13H,4,11H2,1H3/t7-/m0/s1.
What are the key properties of 4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol?
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol has a molecular weight of 201.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol is sourced from PubChem (CID 66514027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).