1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene

C28H22F2O2 — CID 132558320

IUPAC1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C(=C(\c2ccc(F)cc2)c2ccc(OC)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H22F2O2/c1-31-25-15-7-21(8-16-25)27(19-3-11-23(29)12-4-19)28(20-5-13-24(30)14-6-20)22-9-17-26(32-2)18-10-22/h3-18H,1-2H3/b28-27+
InChIKeyIAERBLNZEPZQMJ-BYYHNAKLSA-N
MW428.48 g/mol
LogP6.99
Rot. Bonds6

About 1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene

1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene (PubChem CID 132558320) has the molecular formula C28H22F2O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is 1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
PubChem CID132558320
Molecular FormulaC28H22F2O2
Molecular Weight428.48 g/mol
Exact Mass428.16
IUPAC Name1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C(=C(\c2ccc(F)cc2)c2ccc(OC)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H22F2O2/c1-31-25-15-7-21(8-16-25)27(19-3-11-23(29)12-4-19)28(20-5-13-24(30)14-6-20)22-9-17-26(32-2)18-10-22/h3-18H,1-2H3/b28-27+
InChIKeyIAERBLNZEPZQMJ-BYYHNAKLSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
Methoxychlor olefin
CID 75048
1,1'-Biphenyl, 4,4'-dimethoxy-
CID 16484
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
4,4'-Dimethoxystilbene
CID 20828
p,p'-Dimethoxystilbene
CID 1550828
3,4-Bis(4-methoxyphenyl)hexane
CID 8541

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene (CID 132558320) is 1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene is COc1ccc(/C(=C(\c2ccc(F)cc2)c2ccc(OC)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
The InChIKey is IAERBLNZEPZQMJ-BYYHNAKLSA-N. The full InChI is InChI=1S/C28H22F2O2/c1-31-25-15-7-21(8-16-25)27(19-3-11-23(29)12-4-19)28(20-5-13-24(30)14-6-20)22-9-17-26(32-2)18-10-22/h3-18H,1-2H3/b28-27+.
What are the key properties of 1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene?
1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene has a molecular weight of 428.48 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-bis(4-fluorophenyl)-2-(4-methoxyphenyl)ethenyl]-4-methoxybenzene is sourced from PubChem (CID 132558320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).