2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol

C13H9Cl2NO2 — CID 548611

IUPAC2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
SMILESOc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C13H9Cl2NO2/c14-9-4-8(13(18)12(15)5-9)7-16-10-2-1-3-11(17)6-10/h1-7,17-18H/b16-7+
InChIKeyPQSMXZWBTGBSCT-FRKPEAEDSA-N
MW282.13 g/mol
LogP4.16
Rot. Bonds2

About 2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol

2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol (PubChem CID 548611) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
PubChem CID548611
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
SMILESOc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C13H9Cl2NO2/c14-9-4-8(13(18)12(15)5-9)7-16-10-2-1-3-11(17)6-10/h1-7,17-18H/b16-7+
InChIKeyPQSMXZWBTGBSCT-FRKPEAEDSA-N
XLogP4.16
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.16
H-Bond Donors ≤ 52
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-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol (CID 548611) is 2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol is Oc1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol?
The InChIKey is PQSMXZWBTGBSCT-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-9-4-8(13(18)12(15)5-9)7-16-10-2-1-3-11(17)6-10/h1-7,17-18H/b16-7+.
What are the key properties of 2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol?
2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol has a molecular weight of 282.13 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(3-hydroxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 548611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).