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

C7H6ClNO2 — CID 135850198

IUPAC2-chloro-4-[(Z)-hydroxyiminomethyl]phenol
SMILESO/N=C\c1ccc(O)c(Cl)c1
InChIInChI=1S/C7H6ClNO2/c8-6-3-5(4-9-11)1-2-7(6)10/h1-4,10-11H/b9-4-
InChIKeyXSPLRAHQLRUPNU-WTKPLQERSA-N
MW171.58 g/mol
LogP1.85
Rot. Bonds1

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

2-chloro-4-[(Z)-hydroxyiminomethyl]phenol (PubChem CID 135850198) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 2-chloro-4-[(Z)-hydroxyiminomethyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(Z)-hydroxyiminomethyl]phenol
PubChem CID135850198
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name2-chloro-4-[(Z)-hydroxyiminomethyl]phenol
SMILESO/N=C\c1ccc(O)c(Cl)c1
InChIInChI=1S/C7H6ClNO2/c8-6-3-5(4-9-11)1-2-7(6)10/h1-4,10-11H/b9-4-
InChIKeyXSPLRAHQLRUPNU-WTKPLQERSA-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 2-chloro-4-[(Z)-hydroxyiminomethyl]phenol?
The IUPAC name of 2-chloro-4-[(Z)-hydroxyiminomethyl]phenol (CID 135850198) is 2-chloro-4-[(Z)-hydroxyiminomethyl]phenol.
What is the SMILES notation for 2-chloro-4-[(Z)-hydroxyiminomethyl]phenol?
The canonical SMILES for 2-chloro-4-[(Z)-hydroxyiminomethyl]phenol is O/N=C\c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(Z)-hydroxyiminomethyl]phenol?
The InChIKey is XSPLRAHQLRUPNU-WTKPLQERSA-N. The full InChI is InChI=1S/C7H6ClNO2/c8-6-3-5(4-9-11)1-2-7(6)10/h1-4,10-11H/b9-4-.
What are the key properties of 2-chloro-4-[(Z)-hydroxyiminomethyl]phenol?
2-chloro-4-[(Z)-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 2-chloro-4-[(Z)-hydroxyiminomethyl]phenol is sourced from PubChem (CID 135850198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).