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

C8H8ClNO2 — CID 135589127

IUPAC4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1cc(Cl)ccc1O
InChIInChI=1S/C8H8ClNO2/c1-5(10-12)7-4-6(9)2-3-8(7)11/h2-4,11-12H,1H3/b10-5+
InChIKeyHKBDZIHVULROIL-BJMVGYQFSA-N
MW185.61 g/mol
LogP2.24
Rot. Bonds1

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

4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 135589127) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID135589127
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1cc(Cl)ccc1O
InChIInChI=1S/C8H8ClNO2/c1-5(10-12)7-4-6(9)2-3-8(7)11/h2-4,11-12H,1H3/b10-5+
InChIKeyHKBDZIHVULROIL-BJMVGYQFSA-N
XLogP2.24
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 135589127) is 4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N\O)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is HKBDZIHVULROIL-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-5(10-12)7-4-6(9)2-3-8(7)11/h2-4,11-12H,1H3/b10-5+.
What are the key properties of 4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 185.61 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135589127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).