2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene

C23H20F2O — CID 143545189

IUPAC2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene
SMILESCOc1ccc(Cc2ccc(F)cc2)cc1/C=C/c1ccc(C)cc1F
InChIInChI=1S/C23H20F2O/c1-16-3-7-19(22(25)13-16)8-9-20-15-18(6-12-23(20)26-2)14-17-4-10-21(24)11-5-17/h3-13,15H,14H2,1-2H3/b9-8+
InChIKeyZCOQXYVWAIVKJE-CMDGGOBGSA-N
MW350.41 g/mol
LogP6.04
Rot. Bonds5

About 2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene

2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene (PubChem CID 143545189) has the molecular formula C23H20F2O and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene
PubChem CID143545189
Molecular FormulaC23H20F2O
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene
SMILESCOc1ccc(Cc2ccc(F)cc2)cc1/C=C/c1ccc(C)cc1F
InChIInChI=1S/C23H20F2O/c1-16-3-7-19(22(25)13-16)8-9-20-15-18(6-12-23(20)26-2)14-17-4-10-21(24)11-5-17/h3-13,15H,14H2,1-2H3/b9-8+
InChIKeyZCOQXYVWAIVKJE-CMDGGOBGSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-[(E)-2-methoxyethenyl]-4-methylbenzene
CID 167530935
(E)-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 60559301
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide
CID 46949187
3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid
CID 77011444
3-[2-(4-fluorophenyl)ethenyl]-4-methoxybenzamide
CID 67002282
1,2-difluoro-3-(2-methoxy-5-methylphenyl)-5-methylbenzene
CID 143974540
(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
6-[(4-fluorophenyl)methyl]-3-methoxy-2-(3-methylphenyl)pyridine
CID 90305031
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene?
The IUPAC name of 2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene (CID 143545189) is 2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene?
The canonical SMILES for 2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene is COc1ccc(Cc2ccc(F)cc2)cc1/C=C/c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene?
The InChIKey is ZCOQXYVWAIVKJE-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H20F2O/c1-16-3-7-19(22(25)13-16)8-9-20-15-18(6-12-23(20)26-2)14-17-4-10-21(24)11-5-17/h3-13,15H,14H2,1-2H3/b9-8+.
What are the key properties of 2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene?
2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene has a molecular weight of 350.41 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(E)-2-[5-[(4-fluorophenyl)methyl]-2-methoxyphenyl]ethenyl]-4-methylbenzene is sourced from PubChem (CID 143545189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).