1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one

C20H25NO3 — CID 175391390

IUPAC1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
SMILESCOc1ccc(C=Cn2c(C)cc(=O)cc2C)cc1OCC(C)C
InChIInChI=1S/C20H25NO3/c1-14(2)13-24-20-12-17(6-7-19(20)23-5)8-9-21-15(3)10-18(22)11-16(21)4/h6-12,14H,13H2,1-5H3
InChIKeyHTXZMGUDUNFWKD-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.14
Rot. Bonds6

About 1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one

1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one (PubChem CID 175391390) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
PubChem CID175391390
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one
SMILESCOc1ccc(C=Cn2c(C)cc(=O)cc2C)cc1OCC(C)C
InChIInChI=1S/C20H25NO3/c1-14(2)13-24-20-12-17(6-7-19(20)23-5)8-9-21-15(3)10-18(22)11-16(21)4/h6-12,14H,13H2,1-5H3
InChIKeyHTXZMGUDUNFWKD-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E)-2-(4-methoxy-3-propan-2-yloxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
CID 152503198
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-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-[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
1-[2-[3-(1,1-dioxothiolan-3-yl)oxy-4-methoxyphenyl]ethenyl]-2,6-dimethylpyridin-4-one
CID 155339260
4-[(E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 9188037
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
(3E)-3-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1-methylindol-2-one
CID 7972144
2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]quinoline
CID 7945993
3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one (CID 175391390) is 1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one is COc1ccc(C=Cn2c(C)cc(=O)cc2C)cc1OCC(C)C.
What is the InChIKey of 1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one?
The InChIKey is HTXZMGUDUNFWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14(2)13-24-20-12-17(6-7-19(20)23-5)8-9-21-15(3)10-18(22)11-16(21)4/h6-12,14H,13H2,1-5H3.
What are the key properties of 1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one?
1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one has a molecular weight of 327.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 175391390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).