2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol

C14H10Cl3NO — CID 690787

IUPAC2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol
SMILESCc1c(Cl)cccc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H10Cl3NO/c1-8-11(16)3-2-4-13(8)18-7-9-5-10(15)6-12(17)14(9)19/h2-7,19H,1H3/b18-7+
InChIKeyPDCNGLCVKKCUDQ-CNHKJKLMSA-N
MW314.60 g/mol
LogP5.41
Rot. Bonds2

About 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol

2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol (PubChem CID 690787) has the molecular formula C14H10Cl3NO and a molecular weight of 314.60 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol
PubChem CID690787
Molecular FormulaC14H10Cl3NO
Molecular Weight314.60 g/mol
Exact Mass312.98
IUPAC Name2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol
SMILESCc1c(Cl)cccc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H10Cl3NO/c1-8-11(16)3-2-4-13(8)18-7-9-5-10(15)6-12(17)14(9)19/h2-7,19H,1H3/b18-7+
InChIKeyPDCNGLCVKKCUDQ-CNHKJKLMSA-N
XLogP5.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.60
LogP ≤ 55.41
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 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol (CID 690787) is 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol is Cc1c(Cl)cccc1/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol?
The InChIKey is PDCNGLCVKKCUDQ-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H10Cl3NO/c1-8-11(16)3-2-4-13(8)18-7-9-5-10(15)6-12(17)14(9)19/h2-7,19H,1H3/b18-7+.
What are the key properties of 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol?
2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol has a molecular weight of 314.60 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(3-chloro-2-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 690787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).