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

C13H14N2O2 — CID 22061985

IUPAC2-(2,4-diaminophenyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2ccc(N)cc2N)c1
InChIInChI=1S/C13H14N2O2/c1-17-9-3-5-13(16)11(7-9)10-4-2-8(14)6-12(10)15/h2-7,16H,14-15H2,1H3
InChIKeyYVBMJEKEVGBZKL-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.23
Rot. Bonds2

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

2-(2,4-diaminophenyl)-4-methoxyphenol (PubChem CID 22061985) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(2,4-diaminophenyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(2,4-diaminophenyl)-4-methoxyphenol
PubChem CID22061985
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(2,4-diaminophenyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2ccc(N)cc2N)c1
InChIInChI=1S/C13H14N2O2/c1-17-9-3-5-13(16)11(7-9)10-4-2-8(14)6-12(10)15/h2-7,16H,14-15H2,1H3
InChIKeyYVBMJEKEVGBZKL-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'}

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Related Compounds

5-amino-2-(3-methoxyphenyl)phenol
CID 12067776
2-(2,4-diaminophenyl)-5-methylphenol
CID 22061914
5-amino-2-(3-methoxyphenyl)phenol;hydrochloride
CID 22023330
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
3-(2,4-diaminophenyl)-4-methylphenol
CID 22061973
2-amino-4-(2,4-diaminophenyl)phenol
CID 22062032
2-(2-fluoro-4-methoxyphenyl)-4-methylphenol
CID 83130401
2-(6-chloropyridazin-3-yl)-5-methoxyphenol
CID 135731737
2-(4-chlorophenyl)-4-methoxyphenol
CID 57199343
2-(3-fluoro-2-methylphenyl)-4-methoxyphenol
CID 104707372
2-[3-(2-hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)phenyl]-5-methoxyphenol
CID 20730822
(4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate
CID 61303104

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diaminophenyl)-4-methoxyphenol?
The IUPAC name of 2-(2,4-diaminophenyl)-4-methoxyphenol (CID 22061985) is 2-(2,4-diaminophenyl)-4-methoxyphenol.
What is the SMILES notation for 2-(2,4-diaminophenyl)-4-methoxyphenol?
The canonical SMILES for 2-(2,4-diaminophenyl)-4-methoxyphenol is COc1ccc(O)c(-c2ccc(N)cc2N)c1.
What is the InChIKey of 2-(2,4-diaminophenyl)-4-methoxyphenol?
The InChIKey is YVBMJEKEVGBZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-9-3-5-13(16)11(7-9)10-4-2-8(14)6-12(10)15/h2-7,16H,14-15H2,1H3.
What are the key properties of 2-(2,4-diaminophenyl)-4-methoxyphenol?
2-(2,4-diaminophenyl)-4-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)-4-methoxyphenol is sourced from PubChem (CID 22061985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).