4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol

C15H17NO3 — CID 129110059

IUPAC4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
SMILESCOc1cccc(N)c1COc1ccc(O)cc1C
InChIInChI=1S/C15H17NO3/c1-10-8-11(17)6-7-14(10)19-9-12-13(16)4-3-5-15(12)18-2/h3-8,17H,9,16H2,1-2H3
InChIKeyOUKVTNYJKUSQEZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.87
Rot. Bonds4

About 4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol

4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol (PubChem CID 129110059) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol.

Molecular Properties

Compound Name4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
PubChem CID129110059
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
SMILESCOc1cccc(N)c1COc1ccc(O)cc1C
InChIInChI=1S/C15H17NO3/c1-10-8-11(17)6-7-14(10)19-9-12-13(16)4-3-5-15(12)18-2/h3-8,17H,9,16H2,1-2H3
InChIKeyOUKVTNYJKUSQEZ-UHFFFAOYSA-N
XLogP2.87
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.87
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 4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol?
The IUPAC name of 4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol (CID 129110059) is 4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol.
What is the SMILES notation for 4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol?
The canonical SMILES for 4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol is COc1cccc(N)c1COc1ccc(O)cc1C.
What is the InChIKey of 4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol?
The InChIKey is OUKVTNYJKUSQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-8-11(17)6-7-14(10)19-9-12-13(16)4-3-5-15(12)18-2/h3-8,17H,9,16H2,1-2H3.
What are the key properties of 4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol?
4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol has a molecular weight of 259.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol is sourced from PubChem (CID 129110059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).