2-amino-4,5-dimethoxyphenol;hydrochloride

C8H12ClNO3 — CID 21492629

IUPAC2-amino-4,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(N)c(O)cc1OC.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-11-7-3-5(9)6(10)4-8(7)12-2;/h3-4,10H,9H2,1-2H3;1H
InChIKeyIDTGJUWPEZDCLY-UHFFFAOYSA-N
MW205.64 g/mol
LogP1.41
Rot. Bonds2

About 2-amino-4,5-dimethoxyphenol;hydrochloride

2-amino-4,5-dimethoxyphenol;hydrochloride (PubChem CID 21492629) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-amino-4,5-dimethoxyphenol;hydrochloride
PubChem CID21492629
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name2-amino-4,5-dimethoxyphenol;hydrochloride
SMILESCOc1cc(N)c(O)cc1OC.Cl
InChIInChI=1S/C8H11NO3.ClH/c1-11-7-3-5(9)6(10)4-8(7)12-2;/h3-4,10H,9H2,1-2H3;1H
InChIKeyIDTGJUWPEZDCLY-UHFFFAOYSA-N
XLogP1.41
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxyphenol;hydrochloride?
The IUPAC name of 2-amino-4,5-dimethoxyphenol;hydrochloride (CID 21492629) is 2-amino-4,5-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 2-amino-4,5-dimethoxyphenol;hydrochloride?
The canonical SMILES for 2-amino-4,5-dimethoxyphenol;hydrochloride is COc1cc(N)c(O)cc1OC.Cl.
What is the InChIKey of 2-amino-4,5-dimethoxyphenol;hydrochloride?
The InChIKey is IDTGJUWPEZDCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3.ClH/c1-11-7-3-5(9)6(10)4-8(7)12-2;/h3-4,10H,9H2,1-2H3;1H.
What are the key properties of 2-amino-4,5-dimethoxyphenol;hydrochloride?
2-amino-4,5-dimethoxyphenol;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 21492629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).