5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol

C15H17NO3 — CID 166514340

IUPAC5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol
SMILESCOc1c(C)c(OC)c(O)c(-c2ccccc2)c1N
InChIInChI=1S/C15H17NO3/c1-9-14(18-2)12(16)11(13(17)15(9)19-3)10-7-5-4-6-8-10/h4-8,17H,16H2,1-3H3
InChIKeyJJBYFEFZRWMQAO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.97
Rot. Bonds3

About 5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol

5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol (PubChem CID 166514340) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol
PubChem CID166514340
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol
SMILESCOc1c(C)c(OC)c(O)c(-c2ccccc2)c1N
InChIInChI=1S/C15H17NO3/c1-9-14(18-2)12(16)11(13(17)15(9)19-3)10-7-5-4-6-8-10/h4-8,17H,16H2,1-3H3
InChIKeyJJBYFEFZRWMQAO-UHFFFAOYSA-N
XLogP2.97
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
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 5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol?
The IUPAC name of 5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol (CID 166514340) is 5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol.
What is the SMILES notation for 5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol?
The canonical SMILES for 5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol is COc1c(C)c(OC)c(O)c(-c2ccccc2)c1N.
What is the InChIKey of 5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol?
The InChIKey is JJBYFEFZRWMQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-14(18-2)12(16)11(13(17)15(9)19-3)10-7-5-4-6-8-10/h4-8,17H,16H2,1-3H3.
What are the key properties of 5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol?
5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol has a molecular weight of 259.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-3-methyl-6-phenylphenol is sourced from PubChem (CID 166514340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).