5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol

C9H11ClFNO3 — CID 84797746

IUPAC5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
SMILESCOc1c(Cl)cc(O)c(F)c1CN(C)O
InChIInChI=1S/C9H11ClFNO3/c1-12(14)4-5-8(11)7(13)3-6(10)9(5)15-2/h3,13-14H,4H2,1-2H3
InChIKeyRACAXDFGWCJWFT-UHFFFAOYSA-N
MW235.64 g/mol
LogP2.01
Rot. Bonds3

About 5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol

5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol (PubChem CID 84797746) has the molecular formula C9H11ClFNO3 and a molecular weight of 235.64 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
PubChem CID84797746
Molecular FormulaC9H11ClFNO3
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
SMILESCOc1c(Cl)cc(O)c(F)c1CN(C)O
InChIInChI=1S/C9H11ClFNO3/c1-12(14)4-5-8(11)7(13)3-6(10)9(5)15-2/h3,13-14H,4H2,1-2H3
InChIKeyRACAXDFGWCJWFT-UHFFFAOYSA-N
XLogP2.01
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776098
3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776097
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84810597
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
N-[(5-chloro-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84787177
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117341372
4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
CID 117314991
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
The IUPAC name of 5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol (CID 84797746) is 5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
The canonical SMILES for 5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol is COc1c(Cl)cc(O)c(F)c1CN(C)O.
What is the InChIKey of 5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
The InChIKey is RACAXDFGWCJWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO3/c1-12(14)4-5-8(11)7(13)3-6(10)9(5)15-2/h3,13-14H,4H2,1-2H3.
What are the key properties of 5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol has a molecular weight of 235.64 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 84797746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).