1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene

C28H23FO — CID 132528132

IUPAC1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene
SMILESCOc1ccc(/C(=C(/c2ccccc2)c2ccc(C)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H23FO/c1-20-8-10-22(11-9-20)27(21-6-4-3-5-7-21)28(23-12-16-25(29)17-13-23)24-14-18-26(30-2)19-15-24/h3-19H,1-2H3/b28-27-
InChIKeyRUJIEISBIMKPFA-DQSJHHFOSA-N
MW394.49 g/mol
LogP7.15
Rot. Bonds5

About 1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene

1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene (PubChem CID 132528132) has the molecular formula C28H23FO and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene
PubChem CID132528132
Molecular FormulaC28H23FO
Molecular Weight394.49 g/mol
Exact Mass394.17
IUPAC Name1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene
SMILESCOc1ccc(/C(=C(/c2ccccc2)c2ccc(C)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H23FO/c1-20-8-10-22(11-9-20)27(21-6-4-3-5-7-21)28(23-12-16-25(29)17-13-23)24-14-18-26(30-2)19-15-24/h3-19H,1-2H3/b28-27-
InChIKeyRUJIEISBIMKPFA-DQSJHHFOSA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.49
LogP ≤ 57.15
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

Chlorotrianisene
CID 11289
4-Methoxybiphenyl
CID 11943
4-Methoxydiphenylmethane
CID 13264
1,1'-(Phenylmethylene)bis(4-methoxybenzene)
CID 82012
1,1'-Biphenyl, mixt. with 1,1'-oxybis(benzene)
CID 24670
3,4-Bis(4-methoxyphenyl)hex-3-ene
CID 3032539
Photoanethole
CID 641296
1-methoxy-4-[(E)-2-(4-methylphenyl)vinyl]benzene
CID 639952
4,4'-Dimethoxystilbene
CID 20828
p,p'-Dimethoxystilbene
CID 1550828
3,4-Bis(4-methoxyphenyl)hexane
CID 8541
4,4'-Dimethoxybibenzyl
CID 74261

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene (CID 132528132) is 1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene is COc1ccc(/C(=C(/c2ccccc2)c2ccc(C)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene?
The InChIKey is RUJIEISBIMKPFA-DQSJHHFOSA-N. The full InChI is InChI=1S/C28H23FO/c1-20-8-10-22(11-9-20)27(21-6-4-3-5-7-21)28(23-12-16-25(29)17-13-23)24-14-18-26(30-2)19-15-24/h3-19H,1-2H3/b28-27-.
What are the key properties of 1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene?
1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene has a molecular weight of 394.49 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-1-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylethenyl]benzene is sourced from PubChem (CID 132528132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).