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

C14H11ClFNO3 — CID 135931724

IUPAC2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
SMILESCOc1ccc(-c2ccc(/C=N/O)c(O)c2Cl)cc1F
InChIInChI=1S/C14H11ClFNO3/c1-20-12-5-3-8(6-11(12)16)10-4-2-9(7-17-19)14(18)13(10)15/h2-7,18-19H,1H3/b17-7+
InChIKeyKLTZIZTUZXEBBT-REZTVBANSA-N
MW295.70 g/mol
LogP3.67
Rot. Bonds3

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

2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol (PubChem CID 135931724) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
PubChem CID135931724
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
SMILESCOc1ccc(-c2ccc(/C=N/O)c(O)c2Cl)cc1F
InChIInChI=1S/C14H11ClFNO3/c1-20-12-5-3-8(6-11(12)16)10-4-2-9(7-17-19)14(18)13(10)15/h2-7,18-19H,1H3/b17-7+
InChIKeyKLTZIZTUZXEBBT-REZTVBANSA-N
XLogP3.67
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.67
H-Bond Donors ≤ 52
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-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
CID 135931707
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
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-methoxyphenyl)phenol
CID 135620550
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
6-chloro-4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-hydroxyiminomethyl]-3-methylphenol
CID 136033481
4-(3-chloro-4-methoxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136961613
2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxy-3-methylphenyl)phenol
CID 178298782
2-chloro-3-(3-chloro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 178301258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol?
The IUPAC name of 2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol (CID 135931724) is 2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol?
The canonical SMILES for 2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol is COc1ccc(-c2ccc(/C=N/O)c(O)c2Cl)cc1F.
What is the InChIKey of 2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol?
The InChIKey is KLTZIZTUZXEBBT-REZTVBANSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-20-12-5-3-8(6-11(12)16)10-4-2-9(7-17-19)14(18)13(10)15/h2-7,18-19H,1H3/b17-7+.
What are the key properties of 2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol?
2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol has a molecular weight of 295.70 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135931724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).