5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol

C16H19NO4 — CID 166514338

IUPAC5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol
SMILESCOc1cccc(-c2c(N)c(OC)c(C)c(OC)c2O)c1
InChIInChI=1S/C16H19NO4/c1-9-15(20-3)13(17)12(14(18)16(9)21-4)10-6-5-7-11(8-10)19-2/h5-8,18H,17H2,1-4H3
InChIKeyRWCBMUKQGITOKC-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.98
Rot. Bonds4

About 5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol

5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol (PubChem CID 166514338) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol
PubChem CID166514338
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol
SMILESCOc1cccc(-c2c(N)c(OC)c(C)c(OC)c2O)c1
InChIInChI=1S/C16H19NO4/c1-9-15(20-3)13(17)12(14(18)16(9)21-4)10-6-5-7-11(8-10)19-2/h5-8,18H,17H2,1-4H3
InChIKeyRWCBMUKQGITOKC-UHFFFAOYSA-N
XLogP2.98
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol?
The IUPAC name of 5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol (CID 166514338) is 5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol.
What is the SMILES notation for 5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol?
The canonical SMILES for 5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol is COc1cccc(-c2c(N)c(OC)c(C)c(OC)c2O)c1.
What is the InChIKey of 5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol?
The InChIKey is RWCBMUKQGITOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9-15(20-3)13(17)12(14(18)16(9)21-4)10-6-5-7-11(8-10)19-2/h5-8,18H,17H2,1-4H3.
What are the key properties of 5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol?
5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol has a molecular weight of 289.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-6-(3-methoxyphenyl)-3-methylphenol is sourced from PubChem (CID 166514338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).