(6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone

C21H19NO4 — CID 53361672

IUPAC(6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H19NO4/c1-24-18-12-15(13-19(25-2)21(18)26-3)20(23)17-11-7-10-16(22-17)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyRWOAXYCFOQVYLQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.01
Rot. Bonds6

About (6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone

(6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 53361672) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID53361672
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C21H19NO4/c1-24-18-12-15(13-19(25-2)21(18)26-3)20(23)17-11-7-10-16(22-17)14-8-5-4-6-9-14/h4-13H,1-3H3
InChIKeyRWOAXYCFOQVYLQ-UHFFFAOYSA-N
XLogP4.01
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone (CID 53361672) is (6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cccc(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of (6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RWOAXYCFOQVYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-24-18-12-15(13-19(25-2)21(18)26-3)20(23)17-11-7-10-16(22-17)14-8-5-4-6-9-14/h4-13H,1-3H3.
What are the key properties of (6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone?
(6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 349.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 53361672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).