2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one

C18H23NO2 — CID 10913107

IUPAC2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
SMILESCCCCc1c(OCc2ccccc2)c(=O)cc(C)n1C
InChIInChI=1S/C18H23NO2/c1-4-5-11-16-18(17(20)12-14(2)19(16)3)21-13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3
InChIKeyQYWIFTPKVWRIML-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.62
Rot. Bonds6

About 2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one

2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one (PubChem CID 10913107) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
PubChem CID10913107
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
SMILESCCCCc1c(OCc2ccccc2)c(=O)cc(C)n1C
InChIInChI=1S/C18H23NO2/c1-4-5-11-16-18(17(20)12-14(2)19(16)3)21-13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3
InChIKeyQYWIFTPKVWRIML-UHFFFAOYSA-N
XLogP3.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one (CID 10913107) is 2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one is CCCCc1c(OCc2ccccc2)c(=O)cc(C)n1C.
What is the InChIKey of 2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
The InChIKey is QYWIFTPKVWRIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-5-11-16-18(17(20)12-14(2)19(16)3)21-13-15-9-7-6-8-10-15/h6-10,12H,4-5,11,13H2,1-3H3.
What are the key properties of 2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one?
2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one has a molecular weight of 285.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 10913107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).