3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one

C15H17NO2 — CID 130229399

IUPAC3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C15H17NO2/c1-10-11(2)15(17)16-12(3)14(10)18-9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyURCSNAHLNXJFQV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.88
Rot. Bonds3

About 3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one

3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one (PubChem CID 130229399) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one
PubChem CID130229399
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C)c(C)c1OCc1ccccc1
InChIInChI=1S/C15H17NO2/c1-10-11(2)15(17)16-12(3)14(10)18-9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,16,17)
InChIKeyURCSNAHLNXJFQV-UHFFFAOYSA-N
XLogP2.88
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one?
The IUPAC name of 3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one (CID 130229399) is 3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one.
What is the SMILES notation for 3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one?
The canonical SMILES for 3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one is Cc1[nH]c(=O)c(C)c(C)c1OCc1ccccc1.
What is the InChIKey of 3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one?
The InChIKey is URCSNAHLNXJFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-11(2)15(17)16-12(3)14(10)18-9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3,(H,16,17).
What are the key properties of 3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one?
3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-5-phenylmethoxy-1H-pyridin-2-one is sourced from PubChem (CID 130229399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).