4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol

C21H20N2O2 — CID 135544417

IUPAC4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol
SMILESCc1ccc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c(C)c1
InChIInChI=1S/C21H20N2O2/c1-14-3-12-20(15(2)13-14)22-23-21(16-4-8-18(24)9-5-16)17-6-10-19(25)11-7-17/h3-13,22,24-25H,1-2H3
InChIKeyKMJVQXUIJQLIPA-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.58
Rot. Bonds4

About 4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol

4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol (PubChem CID 135544417) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol
PubChem CID135544417
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol
SMILESCc1ccc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c(C)c1
InChIInChI=1S/C21H20N2O2/c1-14-3-12-20(15(2)13-14)22-23-21(16-4-8-18(24)9-5-16)17-6-10-19(25)11-7-17/h3-13,22,24-25H,1-2H3
InChIKeyKMJVQXUIJQLIPA-UHFFFAOYSA-N
XLogP4.58
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,4'-[(2-Methylphenyl)carbonimidoyl]diphenol
CID 136046128
4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 135519978
4-[2-(4-Aminophenyl)-1-(4-hydroxyphenyl)prop-1-enyl]phenol
CID 129137266
4-[2-(4-Aminophenyl)-1-(4-hydroxyphenyl)but-1-enyl]phenol
CID 129137285
2-[N-anilino-C-(2-hydroxyphenyl)carbonimidoyl]phenol
CID 266986
4-[(E)-3-(phenylhydrazinylidene)but-1-enyl]phenol
CID 135911670
4-[C-(4-hydroxyphenyl)-N-(4-methylphenyl)carbonimidoyl]phenol
CID 136046130
4,4'-Dihydroxybenzophenone phenylhydrazone
CID 135533233
4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol
CID 135542525
1-(2-Hydroxyphenyl)ethanone phenylhydrazone
CID 135437289
(E)-2-(phenyl(2-phenylhydrazono)methyl)benzene-1,4-diol
CID 135490855
5-(sec-butyl)-2-hydroxybenzaldehyde N-phenylhydrazone
CID 564882

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The IUPAC name of 4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol (CID 135544417) is 4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The canonical SMILES for 4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol is Cc1ccc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c(C)c1.
What is the InChIKey of 4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
The InChIKey is KMJVQXUIJQLIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-3-12-20(15(2)13-14)22-23-21(16-4-8-18(24)9-5-16)17-6-10-19(25)11-7-17/h3-13,22,24-25H,1-2H3.
What are the key properties of 4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol?
4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol has a molecular weight of 332.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2,4-dimethylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol is sourced from PubChem (CID 135544417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).