2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol

C13H9ClFNO3 — CID 135931707

IUPAC2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
SMILESO/N=C/c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
InChIInChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+
InChIKeyLRRMQNGSYOUANY-OMCISZLKSA-N
MW281.67 g/mol
LogP3.37
Rot. Bonds2

About 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol

2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol (PubChem CID 135931707) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
PubChem CID135931707
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
SMILESO/N=C/c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
InChIInChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+
InChIKeyLRRMQNGSYOUANY-OMCISZLKSA-N
XLogP3.37
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
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
2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135931715
2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol
CID 135931736
2-[(E)-hydroxyiminomethyl]-5-(4-hydroxyphenyl)phenol
CID 135620534
2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
CID 135931724
3-Chloro-4-(4-hydroxyphenyl)salicylaldoxime
CID 91066436
2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-methoxyphenyl)phenol
CID 135931727
2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135931735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol?
The IUPAC name of 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol (CID 135931707) is 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol?
The canonical SMILES for 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol is O/N=C/c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O.
What is the InChIKey of 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol?
The InChIKey is LRRMQNGSYOUANY-OMCISZLKSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+.
What are the key properties of 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol?
2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol has a molecular weight of 281.67 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135931707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).