2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol

C15H14ClNO2 — CID 779811

IUPAC2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/N=C/c2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H14ClNO2/c1-9-5-10(2)15(19)13(6-9)17-8-11-7-12(16)3-4-14(11)18/h3-8,18-19H,1-2H3/b17-8+
InChIKeyWAQLEZKKPPHTQB-CAOOACKPSA-N
MW275.74 g/mol
LogP4.12
Rot. Bonds2

About 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol

2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol (PubChem CID 779811) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
PubChem CID779811
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/N=C/c2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H14ClNO2/c1-9-5-10(2)15(19)13(6-9)17-8-11-7-12(16)3-4-14(11)18/h3-8,18-19H,1-2H3/b17-8+
InChIKeyWAQLEZKKPPHTQB-CAOOACKPSA-N
XLogP4.12
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.12
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol?
The IUPAC name of 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol (CID 779811) is 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol.
What is the SMILES notation for 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol?
The canonical SMILES for 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol is Cc1cc(C)c(O)c(/N=C/c2cc(Cl)ccc2O)c1.
What is the InChIKey of 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol?
The InChIKey is WAQLEZKKPPHTQB-CAOOACKPSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-5-10(2)15(19)13(6-9)17-8-11-7-12(16)3-4-14(11)18/h3-8,18-19H,1-2H3/b17-8+.
What are the key properties of 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol?
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol has a molecular weight of 275.74 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol is sourced from PubChem (CID 779811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).