1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene

C22H16BrF3O — CID 154712327

IUPAC1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene
SMILESCOc1ccc(/C(=C(\Br)c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H16BrF3O/c1-27-19-13-9-16(10-14-19)20(21(23)17-5-3-2-4-6-17)15-7-11-18(12-8-15)22(24,25)26/h2-14H,1H3/b21-20-
InChIKeyFULWIMZFMFPYRF-MRCUWXFGSA-N
MW433.27 g/mol
LogP7.03
Rot. Bonds4

About 1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene

1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene (PubChem CID 154712327) has the molecular formula C22H16BrF3O and a molecular weight of 433.27 g/mol. Its IUPAC name is 1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene
PubChem CID154712327
Molecular FormulaC22H16BrF3O
Molecular Weight433.27 g/mol
Exact Mass432.03
IUPAC Name1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene
SMILESCOc1ccc(/C(=C(\Br)c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H16BrF3O/c1-27-19-13-9-16(10-14-19)20(21(23)17-5-3-2-4-6-17)15-7-11-18(12-8-15)22(24,25)26/h2-14H,1H3/b21-20-
InChIKeyFULWIMZFMFPYRF-MRCUWXFGSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.27
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene (CID 154712327) is 1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene is COc1ccc(/C(=C(\Br)c2ccccc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene?
The InChIKey is FULWIMZFMFPYRF-MRCUWXFGSA-N. The full InChI is InChI=1S/C22H16BrF3O/c1-27-19-13-9-16(10-14-19)20(21(23)17-5-3-2-4-6-17)15-7-11-18(12-8-15)22(24,25)26/h2-14H,1H3/b21-20-.
What are the key properties of 1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene?
1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene has a molecular weight of 433.27 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromo-1-(4-methoxyphenyl)-2-phenylethenyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 154712327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).