2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C14H11ClFNO3 — CID 135931715

IUPAC2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
InChIInChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-6,18-20H,1H3/b17-7+
InChIKeyZLRVGHXYUCPIPQ-REZTVBANSA-N
MW295.70 g/mol
LogP3.76
Rot. Bonds2

About 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 135931715) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID135931715
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
InChIInChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-6,18-20H,1H3/b17-7+
InChIKeyZLRVGHXYUCPIPQ-REZTVBANSA-N
XLogP3.76
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.76
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-(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-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol
CID 135980482
2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol
CID 135931736
2-chloro-3-(3-fluoro-4-methoxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
CID 135931724
6-[(4-Chlorophenyl)(hydroxyamino)methylidene]-3-ethylcyclohexa-2,4-dien-1-one
CID 135762683
2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-5-methylphenol
CID 135762684
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-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136961612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 135931715) is 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N\O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O.
What is the InChIKey of 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is ZLRVGHXYUCPIPQ-REZTVBANSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-6,18-20H,1H3/b17-7+.
What are the key properties of 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 295.70 g/mol, XLogP of 3.76, 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)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135931715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).