4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol

C15H15NO2 — CID 780521

IUPAC4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol
SMILESCc1ccc(C)c(/N=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C15H15NO2/c1-10-3-4-11(2)14(7-10)16-9-12-5-6-13(17)8-15(12)18/h3-9,17-18H,1-2H3/b16-9+
InChIKeyLOROYCBQUDSSKI-CXUHLZMHSA-N
MW241.29 g/mol
LogP3.47
Rot. Bonds2

About 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol

4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol (PubChem CID 780521) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol
PubChem CID780521
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol
SMILESCc1ccc(C)c(/N=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C15H15NO2/c1-10-3-4-11(2)14(7-10)16-9-12-5-6-13(17)8-15(12)18/h3-9,17-18H,1-2H3/b16-9+
InChIKeyLOROYCBQUDSSKI-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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol (CID 780521) is 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol is Cc1ccc(C)c(/N=C/c2ccc(O)cc2O)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol?
The InChIKey is LOROYCBQUDSSKI-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-3-4-11(2)14(7-10)16-9-12-5-6-13(17)8-15(12)18/h3-9,17-18H,1-2H3/b16-9+.
What are the key properties of 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol?
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-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 4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 780521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).