3-(2,4-diaminophenyl)-5-methoxyphenol

C13H14N2O2 — CID 22061988

IUPAC3-(2,4-diaminophenyl)-5-methoxyphenol
SMILESCOc1cc(O)cc(-c2ccc(N)cc2N)c1
InChIInChI=1S/C13H14N2O2/c1-17-11-5-8(4-10(16)7-11)12-3-2-9(14)6-13(12)15/h2-7,16H,14-15H2,1H3
InChIKeyLAKOUCIQOWRPQK-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.23
Rot. Bonds2

About 3-(2,4-diaminophenyl)-5-methoxyphenol

3-(2,4-diaminophenyl)-5-methoxyphenol (PubChem CID 22061988) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2,4-diaminophenyl)-5-methoxyphenol.

Molecular Properties

Compound Name3-(2,4-diaminophenyl)-5-methoxyphenol
PubChem CID22061988
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(2,4-diaminophenyl)-5-methoxyphenol
SMILESCOc1cc(O)cc(-c2ccc(N)cc2N)c1
InChIInChI=1S/C13H14N2O2/c1-17-11-5-8(4-10(16)7-11)12-3-2-9(14)6-13(12)15/h2-7,16H,14-15H2,1H3
InChIKeyLAKOUCIQOWRPQK-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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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diaminophenyl)-5-methoxyphenol?
The IUPAC name of 3-(2,4-diaminophenyl)-5-methoxyphenol (CID 22061988) is 3-(2,4-diaminophenyl)-5-methoxyphenol.
What is the SMILES notation for 3-(2,4-diaminophenyl)-5-methoxyphenol?
The canonical SMILES for 3-(2,4-diaminophenyl)-5-methoxyphenol is COc1cc(O)cc(-c2ccc(N)cc2N)c1.
What is the InChIKey of 3-(2,4-diaminophenyl)-5-methoxyphenol?
The InChIKey is LAKOUCIQOWRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-11-5-8(4-10(16)7-11)12-3-2-9(14)6-13(12)15/h2-7,16H,14-15H2,1H3.
What are the key properties of 3-(2,4-diaminophenyl)-5-methoxyphenol?
3-(2,4-diaminophenyl)-5-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 3-(2,4-diaminophenyl)-5-methoxyphenol is sourced from PubChem (CID 22061988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).