3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol

C15H15NO2 — CID 802842

IUPAC3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol
SMILESCc1ccc(/N=C/c2cccc(O)c2O)c(C)c1
InChIInChI=1S/C15H15NO2/c1-10-6-7-13(11(2)8-10)16-9-12-4-3-5-14(17)15(12)18/h3-9,17-18H,1-2H3/b16-9+
InChIKeyREONECMWKZYBTN-CXUHLZMHSA-N
MW241.29 g/mol
LogP3.47
Rot. Bonds2

About 3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol

3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol (PubChem CID 802842) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol
PubChem CID802842
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol
SMILESCc1ccc(/N=C/c2cccc(O)c2O)c(C)c1
InChIInChI=1S/C15H15NO2/c1-10-6-7-13(11(2)8-10)16-9-12-4-3-5-14(17)15(12)18/h3-9,17-18H,1-2H3/b16-9+
InChIKeyREONECMWKZYBTN-CXUHLZMHSA-N
XLogP3.47
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol?
The IUPAC name of 3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol (CID 802842) is 3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol?
The canonical SMILES for 3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol is Cc1ccc(/N=C/c2cccc(O)c2O)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol?
The InChIKey is REONECMWKZYBTN-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-6-7-13(11(2)8-10)16-9-12-4-3-5-14(17)15(12)18/h3-9,17-18H,1-2H3/b16-9+.
What are the key properties of 3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol?
3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol has a molecular weight of 241.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 802842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).