4-[(2,3-dichlorophenyl)methylideneamino]phenol

C13H9Cl2NO — CID 132648456

IUPAC4-[(2,3-dichlorophenyl)methylideneamino]phenol
SMILESOc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C13H9Cl2NO/c14-12-3-1-2-9(13(12)15)8-16-10-4-6-11(17)7-5-10/h1-8,17H/b16-8+
InChIKeyJMSWBICSLZQRSP-LZYBPNLTSA-N
MW266.13 g/mol
LogP4.45
Rot. Bonds2

About 4-[(2,3-dichlorophenyl)methylideneamino]phenol

4-[(2,3-dichlorophenyl)methylideneamino]phenol (PubChem CID 132648456) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methylideneamino]phenol.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methylideneamino]phenol
PubChem CID132648456
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name4-[(2,3-dichlorophenyl)methylideneamino]phenol
SMILESOc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C13H9Cl2NO/c14-12-3-1-2-9(13(12)15)8-16-10-4-6-11(17)7-5-10/h1-8,17H/b16-8+
InChIKeyJMSWBICSLZQRSP-LZYBPNLTSA-N
XLogP4.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.45
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-[(2,3-dichlorophenyl)methylideneamino]phenol?
The IUPAC name of 4-[(2,3-dichlorophenyl)methylideneamino]phenol (CID 132648456) is 4-[(2,3-dichlorophenyl)methylideneamino]phenol.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methylideneamino]phenol?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methylideneamino]phenol is Oc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methylideneamino]phenol?
The InChIKey is JMSWBICSLZQRSP-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-12-3-1-2-9(13(12)15)8-16-10-4-6-11(17)7-5-10/h1-8,17H/b16-8+.
What are the key properties of 4-[(2,3-dichlorophenyl)methylideneamino]phenol?
4-[(2,3-dichlorophenyl)methylideneamino]phenol has a molecular weight of 266.13 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methylideneamino]phenol is sourced from PubChem (CID 132648456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).