2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol

C14H12ClNO2 — CID 136500420

IUPAC2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol
SMILESCOc1ccc(/C=N/c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C14H12ClNO2/c1-18-13-7-2-10(14(17)8-13)9-16-12-5-3-11(15)4-6-12/h2-9,17H,1H3/b16-9+
InChIKeyJRUJPDJSULRRSX-CXUHLZMHSA-N
MW261.71 g/mol
LogP3.80
Rot. Bonds3

About 2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol

2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol (PubChem CID 136500420) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol
PubChem CID136500420
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol
SMILESCOc1ccc(/C=N/c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C14H12ClNO2/c1-18-13-7-2-10(14(17)8-13)9-16-12-5-3-11(15)4-6-12/h2-9,17H,1H3/b16-9+
InChIKeyJRUJPDJSULRRSX-CXUHLZMHSA-N
XLogP3.80
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.80
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-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol?
The IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol (CID 136500420) is 2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol?
The canonical SMILES for 2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol is COc1ccc(/C=N/c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol?
The InChIKey is JRUJPDJSULRRSX-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-18-13-7-2-10(14(17)8-13)9-16-12-5-3-11(15)4-6-12/h2-9,17H,1H3/b16-9+.
What are the key properties of 2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol?
2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol has a molecular weight of 261.71 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)iminomethyl]-5-methoxyphenol is sourced from PubChem (CID 136500420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).