4-[(4-chlorophenyl)iminomethyl]phenol

C13H10ClNO — CID 868344

IUPAC4-[(4-chlorophenyl)iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1-9,16H/b15-9+
InChIKeyQNBYXBOWHMRRAX-OQLLNIDSSA-N
MW231.68 g/mol
LogP3.80
Rot. Bonds2

About 4-[(4-chlorophenyl)iminomethyl]phenol

4-[(4-chlorophenyl)iminomethyl]phenol (PubChem CID 868344) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)iminomethyl]phenol
PubChem CID868344
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name4-[(4-chlorophenyl)iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1-9,16H/b15-9+
InChIKeyQNBYXBOWHMRRAX-OQLLNIDSSA-N
XLogP3.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)iminomethyl]phenol?
The IUPAC name of 4-[(4-chlorophenyl)iminomethyl]phenol (CID 868344) is 4-[(4-chlorophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-[(4-chlorophenyl)iminomethyl]phenol?
The canonical SMILES for 4-[(4-chlorophenyl)iminomethyl]phenol is Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)iminomethyl]phenol?
The InChIKey is QNBYXBOWHMRRAX-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1-9,16H/b15-9+.
What are the key properties of 4-[(4-chlorophenyl)iminomethyl]phenol?
4-[(4-chlorophenyl)iminomethyl]phenol has a molecular weight of 231.68 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)iminomethyl]phenol is sourced from PubChem (CID 868344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).