1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene

C19H21FO5 — CID 73345876

IUPAC1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(F)cc1OC
InChIInChI=1S/C19H21FO5/c1-11(13-9-16(22-3)14(20)10-15(13)21-2)12-7-17(23-4)19(25-6)18(8-12)24-5/h7-10H,1H2,2-6H3
InChIKeyDRKZLEUWRYWTSY-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.93
Rot. Bonds7

About 1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene

1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene (PubChem CID 73345876) has the molecular formula C19H21FO5 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene
PubChem CID73345876
Molecular FormulaC19H21FO5
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(F)cc1OC
InChIInChI=1S/C19H21FO5/c1-11(13-9-16(22-3)14(20)10-15(13)21-2)12-7-17(23-4)19(25-6)18(8-12)24-5/h7-10H,1H2,2-6H3
InChIKeyDRKZLEUWRYWTSY-UHFFFAOYSA-N
XLogP3.93
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutane;2,3-dimethoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 145336947
2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 71698290
4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 89122708
2-(3,4-difluorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327398
2-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 71697961
2-(3,4,5-trimethoxyphenyl)prop-2-enoyl chloride
CID 175261663
2,5-difluoro-4-methoxyaniline
CID 45090681
2-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 68886270
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 141003424
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene (CID 73345876) is 1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene is C=C(c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c(F)cc1OC.
What is the InChIKey of 1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene?
The InChIKey is DRKZLEUWRYWTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO5/c1-11(13-9-16(22-3)14(20)10-15(13)21-2)12-7-17(23-4)19(25-6)18(8-12)24-5/h7-10H,1H2,2-6H3.
What are the key properties of 1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene?
1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene has a molecular weight of 348.37 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,5-dimethoxy-4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 73345876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).