2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol

C15H13Cl2NO2 — CID 590467

IUPAC2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol
SMILESCCc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H13Cl2NO2/c1-2-9-3-4-14(19)13(5-9)18-8-10-6-11(16)7-12(17)15(10)20/h3-8,19-20H,2H2,1H3/b18-8+
InChIKeyCQSDCWINAYHZPI-QGMBQPNBSA-N
MW310.18 g/mol
LogP4.72
Rot. Bonds3

About 2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol

2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol (PubChem CID 590467) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol
PubChem CID590467
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol
SMILESCCc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H13Cl2NO2/c1-2-9-3-4-14(19)13(5-9)18-8-10-6-11(16)7-12(17)15(10)20/h3-8,19-20H,2H2,1H3/b18-8+
InChIKeyCQSDCWINAYHZPI-QGMBQPNBSA-N
XLogP4.72
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Alpha-(5-chloro-2-hydroxyphenylimino)-O-cresol
CID 270035
N-(2,4-Dichlorobenzylidene)-2-hydroxyaniline
CID 677291
(6E)-6-[(5-ethyl-2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
CID 759207
2,4-Dichloro-6-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 332152
2,4-Dichloro-6-[(3-ethynylphenyl)iminomethyl]phenol
CID 335187
5-Chlorosalicylidene aniline
CID 139957
Alpha-(2-hydroxy-5-methylphenylimino)-O-cresol
CID 4518226
4-Chloro-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 2807028
(e)-2-[(3,5-Bis(trifluoromethyl)phenylimino)methyl]-4,6-dichlorophenol
CID 4348909
2,4-Dichloro-6-((2,3-dimethyl-phenylimino)-methyl)-phenol
CID 710332
2,4-dichloro-6-{(E)-[(3-hydroxyphenyl)imino]methyl}phenol
CID 548611
2,4-Dichloro-6-((3-chloro-2-methyl-phenylimino)-methyl)-phenol
CID 690787

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol (CID 590467) is 2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol is CCc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol?
The InChIKey is CQSDCWINAYHZPI-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-2-9-3-4-14(19)13(5-9)18-8-10-6-11(16)7-12(17)15(10)20/h3-8,19-20H,2H2,1H3/b18-8+.
What are the key properties of 2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol?
2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol has a molecular weight of 310.18 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 590467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).