4-amino-3-methyl-2-(4-methylphenyl)phenol

C14H15NO — CID 174668416

IUPAC4-amino-3-methyl-2-(4-methylphenyl)phenol
SMILESCc1ccc(-c2c(O)ccc(N)c2C)cc1
InChIInChI=1S/C14H15NO/c1-9-3-5-11(6-4-9)14-10(2)12(15)7-8-13(14)16/h3-8,16H,15H2,1-2H3
InChIKeyIDBOIPYDWCOCTK-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.26
Rot. Bonds1

About 4-amino-3-methyl-2-(4-methylphenyl)phenol

4-amino-3-methyl-2-(4-methylphenyl)phenol (PubChem CID 174668416) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-amino-3-methyl-2-(4-methylphenyl)phenol.

Molecular Properties

Compound Name4-amino-3-methyl-2-(4-methylphenyl)phenol
PubChem CID174668416
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-amino-3-methyl-2-(4-methylphenyl)phenol
SMILESCc1ccc(-c2c(O)ccc(N)c2C)cc1
InChIInChI=1S/C14H15NO/c1-9-3-5-11(6-4-9)14-10(2)12(15)7-8-13(14)16/h3-8,16H,15H2,1-2H3
InChIKeyIDBOIPYDWCOCTK-UHFFFAOYSA-N
XLogP3.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.26
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-2-(4-methylphenyl)phenol?
The IUPAC name of 4-amino-3-methyl-2-(4-methylphenyl)phenol (CID 174668416) is 4-amino-3-methyl-2-(4-methylphenyl)phenol.
What is the SMILES notation for 4-amino-3-methyl-2-(4-methylphenyl)phenol?
The canonical SMILES for 4-amino-3-methyl-2-(4-methylphenyl)phenol is Cc1ccc(-c2c(O)ccc(N)c2C)cc1.
What is the InChIKey of 4-amino-3-methyl-2-(4-methylphenyl)phenol?
The InChIKey is IDBOIPYDWCOCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-3-5-11(6-4-9)14-10(2)12(15)7-8-13(14)16/h3-8,16H,15H2,1-2H3.
What are the key properties of 4-amino-3-methyl-2-(4-methylphenyl)phenol?
4-amino-3-methyl-2-(4-methylphenyl)phenol has a molecular weight of 213.28 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-2-(4-methylphenyl)phenol is sourced from PubChem (CID 174668416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).