2-(2,4-diaminophenyl)-3-methoxyphenol

C13H14N2O2 — CID 22061905

IUPAC2-(2,4-diaminophenyl)-3-methoxyphenol
SMILESCOc1cccc(O)c1-c1ccc(N)cc1N
InChIInChI=1S/C13H14N2O2/c1-17-12-4-2-3-11(16)13(12)9-6-5-8(14)7-10(9)15/h2-7,16H,14-15H2,1H3
InChIKeyXERWOEYPJINYTF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.23
Rot. Bonds2

About 2-(2,4-diaminophenyl)-3-methoxyphenol

2-(2,4-diaminophenyl)-3-methoxyphenol (PubChem CID 22061905) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2,4-diaminophenyl)-3-methoxyphenol.

Molecular Properties

Compound Name2-(2,4-diaminophenyl)-3-methoxyphenol
PubChem CID22061905
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(2,4-diaminophenyl)-3-methoxyphenol
SMILESCOc1cccc(O)c1-c1ccc(N)cc1N
InChIInChI=1S/C13H14N2O2/c1-17-12-4-2-3-11(16)13(12)9-6-5-8(14)7-10(9)15/h2-7,16H,14-15H2,1H3
InChIKeyXERWOEYPJINYTF-UHFFFAOYSA-N
XLogP2.23
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-diaminophenyl)-3-methoxyphenol 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 2-(2,4-diaminophenyl)-3-methoxyphenol?
The IUPAC name of 2-(2,4-diaminophenyl)-3-methoxyphenol (CID 22061905) is 2-(2,4-diaminophenyl)-3-methoxyphenol.
What is the SMILES notation for 2-(2,4-diaminophenyl)-3-methoxyphenol?
The canonical SMILES for 2-(2,4-diaminophenyl)-3-methoxyphenol is COc1cccc(O)c1-c1ccc(N)cc1N.
What is the InChIKey of 2-(2,4-diaminophenyl)-3-methoxyphenol?
The InChIKey is XERWOEYPJINYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-12-4-2-3-11(16)13(12)9-6-5-8(14)7-10(9)15/h2-7,16H,14-15H2,1H3.
What are the key properties of 2-(2,4-diaminophenyl)-3-methoxyphenol?
2-(2,4-diaminophenyl)-3-methoxyphenol has a molecular weight of 230.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diaminophenyl)-3-methoxyphenol is sourced from PubChem (CID 22061905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).