4-chloro-2-[(E)-hydroxyiminomethyl]phenol

C7H6ClNO2 — CID 135431372

IUPAC4-chloro-2-[(E)-hydroxyiminomethyl]phenol
SMILESO/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C7H6ClNO2/c8-6-1-2-7(10)5(3-6)4-9-11/h1-4,10-11H/b9-4+
InChIKeyFXAILOLNECSGMI-RUDMXATFSA-N
MW171.58 g/mol
LogP1.85
Rot. Bonds1

About 4-chloro-2-[(E)-hydroxyiminomethyl]phenol

4-chloro-2-[(E)-hydroxyiminomethyl]phenol (PubChem CID 135431372) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 4-chloro-2-[(E)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-hydroxyiminomethyl]phenol
PubChem CID135431372
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name4-chloro-2-[(E)-hydroxyiminomethyl]phenol
SMILESO/N=C/c1cc(Cl)ccc1O
InChIInChI=1S/C7H6ClNO2/c8-6-1-2-7(10)5(3-6)4-9-11/h1-4,10-11H/b9-4+
InChIKeyFXAILOLNECSGMI-RUDMXATFSA-N
XLogP1.85
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.85
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)-hydroxyiminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(E)-hydroxyiminomethyl]phenol (CID 135431372) is 4-chloro-2-[(E)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(E)-hydroxyiminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(E)-hydroxyiminomethyl]phenol is O/N=C/c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[(E)-hydroxyiminomethyl]phenol?
The InChIKey is FXAILOLNECSGMI-RUDMXATFSA-N. The full InChI is InChI=1S/C7H6ClNO2/c8-6-1-2-7(10)5(3-6)4-9-11/h1-4,10-11H/b9-4+.
What are the key properties of 4-chloro-2-[(E)-hydroxyiminomethyl]phenol?
4-chloro-2-[(E)-hydroxyiminomethyl]phenol has a molecular weight of 171.58 g/mol, XLogP of 1.85, 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)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135431372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).