(3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone

C17H19NO6 — CID 90670327

IUPAC(3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2O)cc1N
InChIInChI=1S/C17H19NO6/c1-21-12-6-5-9(7-11(12)18)14(19)10-8-13(22-2)16(23-3)17(24-4)15(10)20/h5-8,20H,18H2,1-4H3
InChIKeyKTISOWMSEUFSQY-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.24
Rot. Bonds6

About (3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone

(3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone (PubChem CID 90670327) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone
PubChem CID90670327
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name(3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2O)cc1N
InChIInChI=1S/C17H19NO6/c1-21-12-6-5-9(7-11(12)18)14(19)10-8-13(22-2)16(23-3)17(24-4)15(10)20/h5-8,20H,18H2,1-4H3
InChIKeyKTISOWMSEUFSQY-UHFFFAOYSA-N
XLogP2.24
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone (CID 90670327) is (3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone is COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2O)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KTISOWMSEUFSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-21-12-6-5-9(7-11(12)18)14(19)10-8-13(22-2)16(23-3)17(24-4)15(10)20/h5-8,20H,18H2,1-4H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone?
(3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone has a molecular weight of 333.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(2-hydroxy-3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 90670327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).