1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene

C24H20BrF3O2 — CID 102451448

IUPAC1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene
SMILESCOc1ccc(C(/C=C(/Br)c2ccccc2C(F)(F)F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H20BrF3O2/c1-29-18-11-7-16(8-12-18)21(17-9-13-19(30-2)14-10-17)15-23(25)20-5-3-4-6-22(20)24(26,27)28/h3-15,21H,1-2H3/b23-15+
InChIKeyDUUVDRHKAIWINO-HZHRSRAPSA-N
MW477.32 g/mol
LogP7.29
Rot. Bonds6

About 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene

1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene (PubChem CID 102451448) has the molecular formula C24H20BrF3O2 and a molecular weight of 477.32 g/mol. Its IUPAC name is 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene
PubChem CID102451448
Molecular FormulaC24H20BrF3O2
Molecular Weight477.32 g/mol
Exact Mass476.06
IUPAC Name1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene
SMILESCOc1ccc(C(/C=C(/Br)c2ccccc2C(F)(F)F)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H20BrF3O2/c1-29-18-11-7-16(8-12-18)21(17-9-13-19(30-2)14-10-17)15-23(25)20-5-3-4-6-22(20)24(26,27)28/h3-15,21H,1-2H3/b23-15+
InChIKeyDUUVDRHKAIWINO-HZHRSRAPSA-N
XLogP7.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.32
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene (CID 102451448) is 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene is COc1ccc(C(/C=C(/Br)c2ccccc2C(F)(F)F)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene?
The InChIKey is DUUVDRHKAIWINO-HZHRSRAPSA-N. The full InChI is InChI=1S/C24H20BrF3O2/c1-29-18-11-7-16(8-12-18)21(17-9-13-19(30-2)14-10-17)15-23(25)20-5-3-4-6-22(20)24(26,27)28/h3-15,21H,1-2H3/b23-15+.
What are the key properties of 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene?
1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene has a molecular weight of 477.32 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-bromo-3,3-bis(4-methoxyphenyl)prop-1-enyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 102451448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).