2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol

C15H14ClNO3 — CID 641190

IUPAC2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol
SMILESCOc1cc(OC)c(/N=C/c2ccccc2O)cc1Cl
InChIInChI=1S/C15H14ClNO3/c1-19-14-8-15(20-2)12(7-11(14)16)17-9-10-5-3-4-6-13(10)18/h3-9,18H,1-2H3/b17-9+
InChIKeyVTSXAEWTTOXZHR-RQZCQDPDSA-N
MW291.73 g/mol
LogP3.81
Rot. Bonds4

About 2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol

2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol (PubChem CID 641190) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol
PubChem CID641190
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol
SMILESCOc1cc(OC)c(/N=C/c2ccccc2O)cc1Cl
InChIInChI=1S/C15H14ClNO3/c1-19-14-8-15(20-2)12(7-11(14)16)17-9-10-5-3-4-6-13(10)18/h3-9,18H,1-2H3/b17-9+
InChIKeyVTSXAEWTTOXZHR-RQZCQDPDSA-N
XLogP3.81
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol?
The IUPAC name of 2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol (CID 641190) is 2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol is COc1cc(OC)c(/N=C/c2ccccc2O)cc1Cl.
What is the InChIKey of 2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol?
The InChIKey is VTSXAEWTTOXZHR-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-14-8-15(20-2)12(7-11(14)16)17-9-10-5-3-4-6-13(10)18/h3-9,18H,1-2H3/b17-9+.
What are the key properties of 2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol?
2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol has a molecular weight of 291.73 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,4-dimethoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 641190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).