3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride

C14H16ClNO3 — CID 22173838

IUPAC3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride
SMILESCOc1ccc(-c2c(N)cccc2O)c(OC)c1.Cl
InChIInChI=1S/C14H15NO3.ClH/c1-17-9-6-7-10(13(8-9)18-2)14-11(15)4-3-5-12(14)16;/h3-8,16H,15H2,1-2H3;1H
InChIKeySRZNBAAUTXQOFH-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.08
Rot. Bonds3

About 3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride

3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride (PubChem CID 22173838) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride.

Molecular Properties

Compound Name3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride
PubChem CID22173838
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride
SMILESCOc1ccc(-c2c(N)cccc2O)c(OC)c1.Cl
InChIInChI=1S/C14H15NO3.ClH/c1-17-9-6-7-10(13(8-9)18-2)14-11(15)4-3-5-12(14)16;/h3-8,16H,15H2,1-2H3;1H
InChIKeySRZNBAAUTXQOFH-UHFFFAOYSA-N
XLogP3.08
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
3-amino-2-(3,5-dimethoxyphenyl)phenol
CID 22173860
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
3,5-ditert-butyl-2,6-bis(2,4-dimethoxyphenyl)phenol
CID 10435212
2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-ol
CID 116889764
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
CID 146431475
8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
CID 158328422
5-amino-2-(3-methoxyphenyl)phenol;hydrochloride
CID 22023330
(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 100803991
2-(2,4-dimethoxyphenyl)-6-(2,6-dimethoxyphenyl)pyridine
CID 90670586
2,4-dimethoxyaniline;sulfuric acid
CID 160678823

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride?
The IUPAC name of 3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride (CID 22173838) is 3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride.
What is the SMILES notation for 3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride?
The canonical SMILES for 3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride is COc1ccc(-c2c(N)cccc2O)c(OC)c1.Cl.
What is the InChIKey of 3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride?
The InChIKey is SRZNBAAUTXQOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3.ClH/c1-17-9-6-7-10(13(8-9)18-2)14-11(15)4-3-5-12(14)16;/h3-8,16H,15H2,1-2H3;1H.
What are the key properties of 3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride?
3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-dimethoxyphenyl)phenol;hydrochloride is sourced from PubChem (CID 22173838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).