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

C17H19NO5 — CID 11278543

IUPAC(5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(N)cc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H19NO5/c1-20-13-6-5-11(18)9-12(13)16(19)10-7-14(21-2)17(23-4)15(8-10)22-3/h5-9H,18H2,1-4H3
InChIKeyUSNRYWJBXZAYBX-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.53
Rot. Bonds6

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

(5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11278543) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is (5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11278543
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(N)cc1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H19NO5/c1-20-13-6-5-11(18)9-12(13)16(19)10-7-14(21-2)17(23-4)15(8-10)22-3/h5-9H,18H2,1-4H3
InChIKeyUSNRYWJBXZAYBX-UHFFFAOYSA-N
XLogP2.53
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 11278543) is (5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(N)cc1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is USNRYWJBXZAYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-20-13-6-5-11(18)9-12(13)16(19)10-7-14(21-2)17(23-4)15(8-10)22-3/h5-9H,18H2,1-4H3.
What are the key properties of (5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
(5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 317.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11278543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).