4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol

C14H11Cl2NO2 — CID 690053

IUPAC4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
SMILESCOc1ccc(/N=C/c2cc(Cl)ccc2O)cc1Cl
InChIInChI=1S/C14H11Cl2NO2/c1-19-14-5-3-11(7-12(14)16)17-8-9-6-10(15)2-4-13(9)18/h2-8,18H,1H3/b17-8+
InChIKeyXCBMFDQKEPUTJQ-CAOOACKPSA-N
MW296.15 g/mol
LogP4.46
Rot. Bonds3

About 4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol

4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol (PubChem CID 690053) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
PubChem CID690053
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
SMILESCOc1ccc(/N=C/c2cc(Cl)ccc2O)cc1Cl
InChIInChI=1S/C14H11Cl2NO2/c1-19-14-5-3-11(7-12(14)16)17-8-9-6-10(15)2-4-13(9)18/h2-8,18H,1H3/b17-8+
InChIKeyXCBMFDQKEPUTJQ-CAOOACKPSA-N
XLogP4.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol (CID 690053) is 4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol is COc1ccc(/N=C/c2cc(Cl)ccc2O)cc1Cl.
What is the InChIKey of 4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol?
The InChIKey is XCBMFDQKEPUTJQ-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-19-14-5-3-11(7-12(14)16)17-8-9-6-10(15)2-4-13(9)18/h2-8,18H,1H3/b17-8+.
What are the key properties of 4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol?
4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol has a molecular weight of 296.15 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 690053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).