4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol

C16H16ClNO2 — CID 3456709

IUPAC4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol
SMILESCOc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-10-6-12(7-11(2)16(10)19)9-18-13-4-5-15(20-3)14(17)8-13/h4-9,19H,1-3H3/b18-9+
InChIKeyYNHLQHMPCAPJHI-GIJQJNRQSA-N
MW289.76 g/mol
LogP4.42
Rot. Bonds3

About 4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol

4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol (PubChem CID 3456709) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol
PubChem CID3456709
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol
SMILESCOc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-10-6-12(7-11(2)16(10)19)9-18-13-4-5-15(20-3)14(17)8-13/h4-9,19H,1-3H3/b18-9+
InChIKeyYNHLQHMPCAPJHI-GIJQJNRQSA-N
XLogP4.42
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.42
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-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol (CID 3456709) is 4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol is COc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1Cl.
What is the InChIKey of 4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol?
The InChIKey is YNHLQHMPCAPJHI-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-6-12(7-11(2)16(10)19)9-18-13-4-5-15(20-3)14(17)8-13/h4-9,19H,1-3H3/b18-9+.
What are the key properties of 4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol?
4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol has a molecular weight of 289.76 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-methoxyphenyl)iminomethyl]-2,6-dimethylphenol is sourced from PubChem (CID 3456709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).