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

C14H12ClNO3 — CID 135931736

IUPAC2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol
SMILESC/C(=N\O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
InChIInChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-7,17-19H,1H3/b16-8+
InChIKeyHBLUQYFUSXQGEA-LZYBPNLTSA-N
MW277.71 g/mol
LogP3.62
Rot. Bonds2

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

2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol (PubChem CID 135931736) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol
PubChem CID135931736
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol
SMILESC/C(=N\O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
InChIInChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-7,17-19H,1H3/b16-8+
InChIKeyHBLUQYFUSXQGEA-LZYBPNLTSA-N
XLogP3.62
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.62
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-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
3-Chloro-4-(4-hydroxyphenyl)salicylaldoxime
CID 91066436
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-2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)-3-methylphenol
CID 136000552
4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136961609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol?
The IUPAC name of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol (CID 135931736) is 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol is C/C(=N\O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O.
What is the InChIKey of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol?
The InChIKey is HBLUQYFUSXQGEA-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-7,17-19H,1H3/b16-8+.
What are the key properties of 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol?
2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol has a molecular weight of 277.71 g/mol, XLogP of 3.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-3-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 135931736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).