4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

C21H15Cl2F3N2O3 — CID 3937611

IUPAC4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCOc1cc(C=Cc2cc(C(F)(F)F)[nH]c(=O)n2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl2F3N2O3/c1-30-18-8-12(2-6-15-10-19(21(24,25)26)28-20(29)27-15)3-7-17(18)31-11-13-4-5-14(22)9-16(13)23/h2-10H,11H2,1H3,(H,27,28,29)
InChIKeyWSBRDHFOIIEPNG-UHFFFAOYSA-N
MW471.26 g/mol
LogP5.85
Rot. Bonds6

About 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one

4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 3937611) has the molecular formula C21H15Cl2F3N2O3 and a molecular weight of 471.26 g/mol. Its IUPAC name is 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID3937611
Molecular FormulaC21H15Cl2F3N2O3
Molecular Weight471.26 g/mol
Exact Mass470.04
IUPAC Name4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCOc1cc(C=Cc2cc(C(F)(F)F)[nH]c(=O)n2)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl2F3N2O3/c1-30-18-8-12(2-6-15-10-19(21(24,25)26)28-20(29)27-15)3-7-17(18)31-11-13-4-5-14(22)9-16(13)23/h2-10H,11H2,1H3,(H,27,28,29)
InChIKeyWSBRDHFOIIEPNG-UHFFFAOYSA-N
XLogP5.85
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.26
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one with MolForge

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Related Compounds

ethyl 2-[2-methoxy-4-[(Z)-2-[2-oxo-6-(trifluoromethyl)-1H-pyrimidin-4-yl]ethenyl]phenoxy]acetate
CID 70687190
6-(trifluoromethyl)-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyrimidin-2-one
CID 2844452
1-[(2,4-dichlorophenyl)methoxy]-2-methoxy-4-[(Z)-2-nitroethenyl]benzene
CID 23774722
4-[(E)-2-(2-chloro-4-hydroxy-5-methoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 135402558
2-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-5,6-dimethyl-1,3-benzothiazole
CID 4588311
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
2-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-nitro-1,3-benzothiazole
CID 3972990
4-[(Z)-2-(2,3-dimethoxyphenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 92912284
2-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-5-phenyl-1,3-benzoxazole
CID 6183544
(4E)-4-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-(4-fluorophenyl)pyrazolidine-3,5-dione
CID 1016125
4-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110506064
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxyaniline
CID 110508899

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 3937611) is 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is COc1cc(C=Cc2cc(C(F)(F)F)[nH]c(=O)n2)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is WSBRDHFOIIEPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F3N2O3/c1-30-18-8-12(2-6-15-10-19(21(24,25)26)28-20(29)27-15)3-7-17(18)31-11-13-4-5-14(22)9-16(13)23/h2-10H,11H2,1H3,(H,27,28,29).
What are the key properties of 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one?
4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 471.26 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 3937611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).