4-amino-3-ethenyl-5-methylphenol;toluene

C16H19NO — CID 143575640

IUPAC4-amino-3-ethenyl-5-methylphenol;toluene
SMILESC=Cc1cc(O)cc(C)c1N.Cc1ccccc1
InChIInChI=1S/C9H11NO.C7H8/c1-3-7-5-8(11)4-6(2)9(7)10;1-7-5-3-2-4-6-7/h3-5,11H,1,10H2,2H3;2-6H,1H3
InChIKeySQVYURQEOSRMGF-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.92
Rot. Bonds1

About 4-amino-3-ethenyl-5-methylphenol;toluene

4-amino-3-ethenyl-5-methylphenol;toluene (PubChem CID 143575640) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-amino-3-ethenyl-5-methylphenol;toluene.

Molecular Properties

Compound Name4-amino-3-ethenyl-5-methylphenol;toluene
PubChem CID143575640
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-amino-3-ethenyl-5-methylphenol;toluene
SMILESC=Cc1cc(O)cc(C)c1N.Cc1ccccc1
InChIInChI=1S/C9H11NO.C7H8/c1-3-7-5-8(11)4-6(2)9(7)10;1-7-5-3-2-4-6-7/h3-5,11H,1,10H2,2H3;2-6H,1H3
InChIKeySQVYURQEOSRMGF-UHFFFAOYSA-N
XLogP3.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-amino-3-ethenyl-5-methylphenol;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethenyl-5-methylphenol;toluene?
The IUPAC name of 4-amino-3-ethenyl-5-methylphenol;toluene (CID 143575640) is 4-amino-3-ethenyl-5-methylphenol;toluene.
What is the SMILES notation for 4-amino-3-ethenyl-5-methylphenol;toluene?
The canonical SMILES for 4-amino-3-ethenyl-5-methylphenol;toluene is C=Cc1cc(O)cc(C)c1N.Cc1ccccc1.
What is the InChIKey of 4-amino-3-ethenyl-5-methylphenol;toluene?
The InChIKey is SQVYURQEOSRMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C7H8/c1-3-7-5-8(11)4-6(2)9(7)10;1-7-5-3-2-4-6-7/h3-5,11H,1,10H2,2H3;2-6H,1H3.
What are the key properties of 4-amino-3-ethenyl-5-methylphenol;toluene?
4-amino-3-ethenyl-5-methylphenol;toluene has a molecular weight of 241.33 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethenyl-5-methylphenol;toluene is sourced from PubChem (CID 143575640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).