1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one

C19H23NO3 — CID 152503198

IUPAC1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
SMILESCOc1ccc(/C=C/n2c(C)cc(=O)cc2C)cc1OC(C)C
InChIInChI=1S/C19H23NO3/c1-13(2)23-19-12-16(6-7-18(19)22-5)8-9-20-14(3)10-17(21)11-15(20)4/h6-13H,1-5H3/b9-8+
InChIKeyYDXHWGWNKKUOHC-CMDGGOBGSA-N
MW313.40 g/mol
LogP3.89
Rot. Bonds5

About 1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one

1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one (PubChem CID 152503198) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
PubChem CID152503198
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
SMILESCOc1ccc(/C=C/n2c(C)cc(=O)cc2C)cc1OC(C)C
InChIInChI=1S/C19H23NO3/c1-13(2)23-19-12-16(6-7-18(19)22-5)8-9-20-14(3)10-17(21)11-15(20)4/h6-13H,1-5H3/b9-8+
InChIKeyYDXHWGWNKKUOHC-CMDGGOBGSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 175391390
1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
CID 155339298
[5-[(E)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)ethenyl]-2-methoxyphenyl] methanesulfonate;1-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
CID 158603990
1-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one;1-[(E)-2-[4-methoxy-3-(methylsulfanylmethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 161399275
1-[2-[3-(1,1-dioxothiolan-3-yl)oxy-4-methoxyphenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 155339260
1-[(E)-2-[4-(difluoromethoxy)-3-(2-methylsulfanylethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 153354124
1-[(E)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 153354113
(E)-2-amino-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enal
CID 39255537
4-[3,4-di(propan-2-yloxy)phenyl]but-3-en-2-one
CID 86063016
1-[(E)-2-[4-(difluoromethoxy)-3-(methylsulfanylmethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one;1-[(E)-2-[4-(difluoromethoxy)-3-(methylsulfonylmethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 159364772
1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893
1-[(E)-2-[4-(difluoromethoxy)-3-(2-methylsulfanylethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one;1-[(E)-2-[4-(difluoromethoxy)-3-(2-methylsulfonylethoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 160984254

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one (CID 152503198) is 1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one is COc1ccc(/C=C/n2c(C)cc(=O)cc2C)cc1OC(C)C.
What is the InChIKey of 1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one?
The InChIKey is YDXHWGWNKKUOHC-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13(2)23-19-12-16(6-7-18(19)22-5)8-9-20-14(3)10-17(21)11-15(20)4/h6-13H,1-5H3/b9-8+.
What are the key properties of 1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one?
1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one has a molecular weight of 313.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 152503198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).