5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol

C25H25FO6 — CID 46933281

IUPAC5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C(/c2ccc(OC)c(F)c2)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C25H25FO6/c1-28-21-9-7-16(12-19(21)26)18(10-15-6-8-22(29-2)20(27)11-15)17-13-23(30-3)25(32-5)24(14-17)31-4/h6-14,27H,1-5H3/b18-10-
InChIKeyGNRHUVUFOOQHQM-ZDLGFXPLSA-N
MW440.47 g/mol
LogP5.16
Rot. Bonds8

About 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol

5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol (PubChem CID 46933281) has the molecular formula C25H25FO6 and a molecular weight of 440.47 g/mol. Its IUPAC name is 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol
PubChem CID46933281
Molecular FormulaC25H25FO6
Molecular Weight440.47 g/mol
Exact Mass440.16
IUPAC Name5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C(/c2ccc(OC)c(F)c2)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C25H25FO6/c1-28-21-9-7-16(12-19(21)26)18(10-15-6-8-22(29-2)20(27)11-15)17-13-23(30-3)25(32-5)24(14-17)31-4/h6-14,27H,1-5H3/b18-10-
InChIKeyGNRHUVUFOOQHQM-ZDLGFXPLSA-N
XLogP5.16
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol with MolForge

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Related Compounds

3-(3-hydroxy-4-methoxyphenyl)-2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 52941734
3-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 53402077
(E)-2-(4-fluorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile
CID 39149114
3-(4-ethoxy-3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 175352669
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
(2E,3Z)-2,3-bis[(3-hydroxy-4-methoxyphenyl)methylidene]butanedial
CID 177405847
(E)-3-(3-hydroxy-4-methoxyphenyl)-1-piperazin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 155807360
5-[(Z)-2-(3-fluorosulfonyloxy-4-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 163428609
(Z)-2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
CID 10727141
(E)-1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 24895134
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
1-(3-fluoro-4-methoxyphenyl)-3-[4-hydroxy-5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154202208

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol?
The IUPAC name of 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol (CID 46933281) is 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol?
The canonical SMILES for 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol is COc1ccc(/C=C(/c2ccc(OC)c(F)c2)c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol?
The InChIKey is GNRHUVUFOOQHQM-ZDLGFXPLSA-N. The full InChI is InChI=1S/C25H25FO6/c1-28-21-9-7-16(12-19(21)26)18(10-15-6-8-22(29-2)20(27)11-15)17-13-23(30-3)25(32-5)24(14-17)31-4/h6-14,27H,1-5H3/b18-10-.
What are the key properties of 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol?
5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol has a molecular weight of 440.47 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-fluoro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol is sourced from PubChem (CID 46933281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).