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

C13H14N2O2 — CID 22061948

IUPAC4-(2,4-diaminophenyl)-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1ccc(N)cc1N
InChIInChI=1S/C13H14N2O2/c1-17-13-7-9(16)3-5-11(13)10-4-2-8(14)6-12(10)15/h2-7,16H,14-15H2,1H3
InChIKeySEDXTICDGWHJHG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.23
Rot. Bonds2

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

4-(2,4-diaminophenyl)-3-methoxyphenol (PubChem CID 22061948) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(2,4-diaminophenyl)-3-methoxyphenol.

Molecular Properties

Compound Name4-(2,4-diaminophenyl)-3-methoxyphenol
PubChem CID22061948
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(2,4-diaminophenyl)-3-methoxyphenol
SMILESCOc1cc(O)ccc1-c1ccc(N)cc1N
InChIInChI=1S/C13H14N2O2/c1-17-13-7-9(16)3-5-11(13)10-4-2-8(14)6-12(10)15/h2-7,16H,14-15H2,1H3
InChIKeySEDXTICDGWHJHG-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 4-(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 4-(2,4-diaminophenyl)-3-methoxyphenol?
The IUPAC name of 4-(2,4-diaminophenyl)-3-methoxyphenol (CID 22061948) is 4-(2,4-diaminophenyl)-3-methoxyphenol.
What is the SMILES notation for 4-(2,4-diaminophenyl)-3-methoxyphenol?
The canonical SMILES for 4-(2,4-diaminophenyl)-3-methoxyphenol is COc1cc(O)ccc1-c1ccc(N)cc1N.
What is the InChIKey of 4-(2,4-diaminophenyl)-3-methoxyphenol?
The InChIKey is SEDXTICDGWHJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-13-7-9(16)3-5-11(13)10-4-2-8(14)6-12(10)15/h2-7,16H,14-15H2,1H3.
What are the key properties of 4-(2,4-diaminophenyl)-3-methoxyphenol?
4-(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 4-(2,4-diaminophenyl)-3-methoxyphenol is sourced from PubChem (CID 22061948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).