3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol

C9H11ClFNO3 — CID 117343843

IUPAC3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(F)c(Cl)c1C(O)CN
InChIInChI=1S/C9H11ClFNO3/c1-15-9-5(13)2-4(11)8(10)7(9)6(14)3-12/h2,6,13-14H,3,12H2,1H3
InChIKeyKCZGGXLVJHJFGD-UHFFFAOYSA-N
MW235.64 g/mol
LogP1.19
Rot. Bonds3

About 3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol

3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol (PubChem CID 117343843) has the molecular formula C9H11ClFNO3 and a molecular weight of 235.64 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
PubChem CID117343843
Molecular FormulaC9H11ClFNO3
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(F)c(Cl)c1C(O)CN
InChIInChI=1S/C9H11ClFNO3/c1-15-9-5(13)2-4(11)8(10)7(9)6(14)3-12/h2,6,13-14H,3,12H2,1H3
InChIKeyKCZGGXLVJHJFGD-UHFFFAOYSA-N
XLogP1.19
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol
CID 84789353
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluorophenol
CID 83882618
3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117339610
4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
CID 84785759
3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117372479
3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol
CID 84778809
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474365
2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117343845
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol?
The IUPAC name of 3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol (CID 117343843) is 3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol.
What is the SMILES notation for 3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol?
The canonical SMILES for 3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol is COc1c(O)cc(F)c(Cl)c1C(O)CN.
What is the InChIKey of 3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol?
The InChIKey is KCZGGXLVJHJFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO3/c1-15-9-5(13)2-4(11)8(10)7(9)6(14)3-12/h2,6,13-14H,3,12H2,1H3.
What are the key properties of 3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol?
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol has a molecular weight of 235.64 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol is sourced from PubChem (CID 117343843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).