2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol

C9H11ClFNO3 — CID 117343845

IUPAC2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
SMILESCOc1cc(Cl)c(F)c(C(O)CN)c1O
InChIInChI=1S/C9H11ClFNO3/c1-15-6-2-4(10)8(11)7(9(6)14)5(13)3-12/h2,5,13-14H,3,12H2,1H3
InChIKeyKBVYQWMTTYPUJA-UHFFFAOYSA-N
MW235.64 g/mol
LogP1.19
Rot. Bonds3

About 2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol

2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol (PubChem CID 117343845) has the molecular formula C9H11ClFNO3 and a molecular weight of 235.64 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
PubChem CID117343845
Molecular FormulaC9H11ClFNO3
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol
SMILESCOc1cc(Cl)c(F)c(C(O)CN)c1O
InChIInChI=1S/C9H11ClFNO3/c1-15-6-2-4(10)8(11)7(9(6)14)5(13)3-12/h2,5,13-14H,3,12H2,1H3
InChIKeyKBVYQWMTTYPUJA-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-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
3-amino-2-(3-chloro-2-fluoro-6-hydroxy-5-methoxyphenyl)propanoic acid
CID 117413939
2-amino-1-(2-chloro-6-methoxy-4-methylphenyl)ethanol
CID 84784457
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
CID 117309015
2-(aminomethyl)-6-chloro-3-fluoro-4-methoxyphenol
CID 84778833
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol
CID 84671141
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol (CID 117343845) is 2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol is COc1cc(Cl)c(F)c(C(O)CN)c1O.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol?
The InChIKey is KBVYQWMTTYPUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO3/c1-15-6-2-4(10)8(11)7(9(6)14)5(13)3-12/h2,5,13-14H,3,12H2,1H3.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol?
2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-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 2-(2-amino-1-hydroxyethyl)-4-chloro-3-fluoro-6-methoxyphenol is sourced from PubChem (CID 117343845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).