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

C14H10Cl3NO — CID 137149795

IUPAC2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Cl)c(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H10Cl3NO/c1-8-2-3-10(6-11(8)15)18-7-9-4-12(16)14(19)13(17)5-9/h2-7,19H,1H3/b18-7+
InChIKeyMMSOWLYDKVVAAY-CNHKJKLMSA-N
MW314.60 g/mol
LogP5.41
Rot. Bonds2

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

2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol (PubChem CID 137149795) has the molecular formula C14H10Cl3NO and a molecular weight of 314.60 g/mol. Its IUPAC name is 2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol
PubChem CID137149795
Molecular FormulaC14H10Cl3NO
Molecular Weight314.60 g/mol
Exact Mass312.98
IUPAC Name2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Cl)c(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H10Cl3NO/c1-8-2-3-10(6-11(8)15)18-7-9-4-12(16)14(19)13(17)5-9/h2-7,19H,1H3/b18-7+
InChIKeyMMSOWLYDKVVAAY-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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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(3,5-dichloro-4-methoxyphenyl)methanimine
CID 126216572
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-iodo-6-methoxyphenol
CID 137149832
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
CID 137100120
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol
CID 137138656
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
2-[2-bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]phenoxy]acetic acid
CID 126206778
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752
1-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 126205504
[2-chloro-4-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenyl] 4-methylbenzenesulfonate
CID 126219325
[4-[(3-chloro-4-methylphenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126215281

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol?
The IUPAC name of 2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol (CID 137149795) is 2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol is Cc1ccc(/N=C/c2cc(Cl)c(O)c(Cl)c2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol?
The InChIKey is MMSOWLYDKVVAAY-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H10Cl3NO/c1-8-2-3-10(6-11(8)15)18-7-9-4-12(16)14(19)13(17)5-9/h2-7,19H,1H3/b18-7+.
What are the key properties of 2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol?
2,6-dichloro-4-[(3-chloro-4-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 2,6-dichloro-4-[(3-chloro-4-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 137149795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).