4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol

C13H9ClFNO2 — CID 135400915

IUPAC4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol
SMILESO/N=C/c1ccc(-c2ccc(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H9ClFNO2/c14-11-5-8(1-2-10(11)7-16-18)9-3-4-13(17)12(15)6-9/h1-7,17-18H/b16-7+
InChIKeyZSWLXTPVGAEJGY-FRKPEAEDSA-N
MW265.67 g/mol
LogP3.66
Rot. Bonds2

About 4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol

4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol (PubChem CID 135400915) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol
PubChem CID135400915
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol
SMILESO/N=C/c1ccc(-c2ccc(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H9ClFNO2/c14-11-5-8(1-2-10(11)7-16-18)9-3-4-13(17)12(15)6-9/h1-7,17-18H/b16-7+
InChIKeyZSWLXTPVGAEJGY-FRKPEAEDSA-N
XLogP3.66
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-3'-Fluoro-3-[(E)-(Hydroxyimino)methyl]biphenyl-4,4'-Diol
CID 135566811
2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
CID 135931707
3-chloro-2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol
CID 136000551
2-Chloro-4-[(E)-(Hydroxyimino)methyl][1,1'-Biphenyl]-3,4'-Diol
CID 135567290
2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(Z)-hydroxyiminomethyl]phenol
CID 136772757
4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol
CID 135407176
4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol
CID 135448372
2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135931715
2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
CID 135931724
2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol
CID 135986104
3-chloro-2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)-6-methylphenol
CID 136033469
6-chloro-4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-hydroxyiminomethyl]-3-methylphenol
CID 136033481

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol?
The IUPAC name of 4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol (CID 135400915) is 4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol.
What is the SMILES notation for 4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol?
The canonical SMILES for 4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol is O/N=C/c1ccc(-c2ccc(O)c(F)c2)cc1Cl.
What is the InChIKey of 4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol?
The InChIKey is ZSWLXTPVGAEJGY-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-11-5-8(1-2-10(11)7-16-18)9-3-4-13(17)12(15)6-9/h1-7,17-18H/b16-7+.
What are the key properties of 4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol?
4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol has a molecular weight of 265.67 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol is sourced from PubChem (CID 135400915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).