4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol

C13H8Cl2FNO2 — CID 135407176

IUPAC4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol
SMILESO/N=C/c1c(Cl)cc(-c2ccc(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-10-3-8(4-11(15)9(10)6-17-19)7-1-2-13(18)12(16)5-7/h1-6,18-19H/b17-6+
InChIKeySEWHMAAOEMKPKA-UBKPWBPPSA-N
MW300.12 g/mol
LogP4.31
Rot. Bonds2

About 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol

4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol (PubChem CID 135407176) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol
PubChem CID135407176
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol
SMILESO/N=C/c1c(Cl)cc(-c2ccc(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H8Cl2FNO2/c14-10-3-8(4-11(15)9(10)6-17-19)7-1-2-13(18)12(16)5-7/h1-6,18-19H/b17-6+
InChIKeySEWHMAAOEMKPKA-UBKPWBPPSA-N
XLogP4.31
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 54.31
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-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol
CID 135448372
4-(3-Chloro-4-methylphenyl)-2-fluorophenol
CID 53219474
4-[3-Chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol
CID 90773839
N-[3-chloro-4-(4-ethenylphenyl)-2-fluorophenoxy]ethanimine
CID 91231927
4-[3-Chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol
CID 91393657
3,5-Dichloro-3''-fluoro-4''-hydroxy-biphenyl-4-carbaldehyde oxime
CID 91498724
4-[3-chloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol
CID 135400915

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol?
The IUPAC name of 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol (CID 135407176) is 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol.
What is the SMILES notation for 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol?
The canonical SMILES for 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol is O/N=C/c1c(Cl)cc(-c2ccc(O)c(F)c2)cc1Cl.
What is the InChIKey of 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol?
The InChIKey is SEWHMAAOEMKPKA-UBKPWBPPSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-10-3-8(4-11(15)9(10)6-17-19)7-1-2-13(18)12(16)5-7/h1-6,18-19H/b17-6+.
What are the key properties of 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol?
4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol has a molecular weight of 300.12 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol is sourced from PubChem (CID 135407176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).