5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one

C20H25F2NO4Si — CID 123529230

IUPAC5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one
SMILESCC[Si](C)(O)c1ccc(OCC2CC2)c(-c2cc(OC(F)F)c(=O)n(C)c2)c1
InChIInChI=1S/C20H25F2NO4Si/c1-4-28(3,25)15-7-8-17(26-12-13-5-6-13)16(10-15)14-9-18(27-20(21)22)19(24)23(2)11-14/h7-11,13,20,25H,4-6,12H2,1-3H3
InChIKeyDJHGUEJFGYMWCK-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.24
Rot. Bonds8

About 5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one

5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one (PubChem CID 123529230) has the molecular formula C20H25F2NO4Si and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one
PubChem CID123529230
Molecular FormulaC20H25F2NO4Si
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one
SMILESCC[Si](C)(O)c1ccc(OCC2CC2)c(-c2cc(OC(F)F)c(=O)n(C)c2)c1
InChIInChI=1S/C20H25F2NO4Si/c1-4-28(3,25)15-7-8-17(26-12-13-5-6-13)16(10-15)14-9-18(27-20(21)22)19(24)23(2)11-14/h7-11,13,20,25H,4-6,12H2,1-3H3
InChIKeyDJHGUEJFGYMWCK-UHFFFAOYSA-N
XLogP3.24
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one (CID 123529230) is 5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one is CC[Si](C)(O)c1ccc(OCC2CC2)c(-c2cc(OC(F)F)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one?
The InChIKey is DJHGUEJFGYMWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO4Si/c1-4-28(3,25)15-7-8-17(26-12-13-5-6-13)16(10-15)14-9-18(27-20(21)22)19(24)23(2)11-14/h7-11,13,20,25H,4-6,12H2,1-3H3.
What are the key properties of 5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one?
5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one has a molecular weight of 409.51 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one is sourced from PubChem (CID 123529230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).