4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol

C14H12ClNO2 — CID 868482

IUPAC4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol
SMILESCOc1ccc(Cl)cc1/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H12ClNO2/c1-18-14-7-4-11(15)8-13(14)16-9-10-2-5-12(17)6-3-10/h2-9,17H,1H3/b16-9+
InChIKeyNEYGAYMAXZJACY-CXUHLZMHSA-N
MW261.71 g/mol
LogP3.80
Rot. Bonds3

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

4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol (PubChem CID 868482) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol
PubChem CID868482
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol
SMILESCOc1ccc(Cl)cc1/N=C/c1ccc(O)cc1
InChIInChI=1S/C14H12ClNO2/c1-18-14-7-4-11(15)8-13(14)16-9-10-2-5-12(17)6-3-10/h2-9,17H,1H3/b16-9+
InChIKeyNEYGAYMAXZJACY-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 4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol (CID 868482) is 4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol is COc1ccc(Cl)cc1/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol?
The InChIKey is NEYGAYMAXZJACY-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-18-14-7-4-11(15)8-13(14)16-9-10-2-5-12(17)6-3-10/h2-9,17H,1H3/b16-9+.
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol?
4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol 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 4-[(5-chloro-2-methoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 868482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).