5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene

C18H19FO4 — CID 45138670

IUPAC5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESC=C(c1ccc(OC)c(F)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H19FO4/c1-11(12-6-7-15(20-2)14(19)8-12)13-9-16(21-3)18(23-5)17(10-13)22-4/h6-10H,1H2,2-5H3
InChIKeyVOVPNYONAIMJOD-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.92
Rot. Bonds6

About 5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene

5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 45138670) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID45138670
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESC=C(c1ccc(OC)c(F)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H19FO4/c1-11(12-6-7-15(20-2)14(19)8-12)13-9-16(21-3)18(23-5)17(10-13)22-4/h6-10H,1H2,2-5H3
InChIKeyVOVPNYONAIMJOD-UHFFFAOYSA-N
XLogP3.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 45138670) is 5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is C=C(c1ccc(OC)c(F)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is VOVPNYONAIMJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-11(12-6-7-15(20-2)14(19)8-12)13-9-16(21-3)18(23-5)17(10-13)22-4/h6-10H,1H2,2-5H3.
What are the key properties of 5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 318.34 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 45138670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).