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

C18H19FO4 — CID 175336601

IUPAC5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(C(F)=Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H19FO4/c1-20-14-7-5-13(6-8-14)15(19)9-12-10-16(21-2)18(23-4)17(11-12)22-3/h5-11H,1-4H3
InChIKeyYUGCNDJZDRINSX-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.19
Rot. Bonds6

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

5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 175336601) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID175336601
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Name5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(C(F)=Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C18H19FO4/c1-20-14-7-5-13(6-8-14)15(19)9-12-10-16(21-2)18(23-4)17(11-12)22-3/h5-11H,1-4H3
InChIKeyYUGCNDJZDRINSX-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)but-3-en-2-one
CID 53329969
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
(4-formyl-2,6-dimethoxyphenyl) 4-methoxybenzoate
CID 820017
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methoxybenzoyl)prop-2-enenitrile
CID 8828924
2-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 716077
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327397
1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 141151486
(E)-3-(4-methoxyphenyl)-2-phenyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 46226736
(Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine
CID 142155659
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
(Z)-3-(4-butoxy-3-chloro-5-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 22680887

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 175336601) is 5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is COc1ccc(C(F)=Cc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is YUGCNDJZDRINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-20-14-7-5-13(6-8-14)15(19)9-12-10-16(21-2)18(23-4)17(11-12)22-3/h5-11H,1-4H3.
What are the key properties of 5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 318.34 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-2-(4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 175336601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).