4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol

C15H15NO2 — CID 834804

IUPAC4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol
SMILESC/C(=N\c1ccc(C)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H15NO2/c1-10-3-5-12(6-4-10)16-11(2)14-8-7-13(17)9-15(14)18/h3-9,17-18H,1-2H3/b16-11+
InChIKeyZDJHSUJWZSRHBN-LFIBNONCSA-N
MW241.29 g/mol
LogP3.55
Rot. Bonds2

About 4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol

4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol (PubChem CID 834804) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol
PubChem CID834804
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol
SMILESC/C(=N\c1ccc(C)cc1)c1ccc(O)cc1O
InChIInChI=1S/C15H15NO2/c1-10-3-5-12(6-4-10)16-11(2)14-8-7-13(17)9-15(14)18/h3-9,17-18H,1-2H3/b16-11+
InChIKeyZDJHSUJWZSRHBN-LFIBNONCSA-N
XLogP3.55
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 ≤ 53.55
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-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol (CID 834804) is 4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol is C/C(=N\c1ccc(C)cc1)c1ccc(O)cc1O.
What is the InChIKey of 4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol?
The InChIKey is ZDJHSUJWZSRHBN-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-3-5-12(6-4-10)16-11(2)14-8-7-13(17)9-15(14)18/h3-9,17-18H,1-2H3/b16-11+.
What are the key properties of 4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol?
4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol has a molecular weight of 241.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 834804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).