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

C15H14ClNO2 — CID 870570

IUPAC2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol
SMILESCOc1ccc(/N=C/c2cccc(C)c2O)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-4-3-5-11(15(10)18)9-17-12-6-7-14(19-2)13(16)8-12/h3-9,18H,1-2H3/b17-9+
InChIKeyVBLSNDVDWJRGRI-RQZCQDPDSA-N
MW275.74 g/mol
LogP4.11
Rot. Bonds3

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

2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol (PubChem CID 870570) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol
PubChem CID870570
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol
SMILESCOc1ccc(/N=C/c2cccc(C)c2O)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-4-3-5-11(15(10)18)9-17-12-6-7-14(19-2)13(16)8-12/h3-9,18H,1-2H3/b17-9+
InChIKeyVBLSNDVDWJRGRI-RQZCQDPDSA-N
XLogP4.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.11
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 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol (CID 870570) is 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol is COc1ccc(/N=C/c2cccc(C)c2O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol?
The InChIKey is VBLSNDVDWJRGRI-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-4-3-5-11(15(10)18)9-17-12-6-7-14(19-2)13(16)8-12/h3-9,18H,1-2H3/b17-9+.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol?
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol has a molecular weight of 275.74 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)iminomethyl]-6-methylphenol is sourced from PubChem (CID 870570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).