1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene

C22H19BrO2 — CID 66556000

IUPAC1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
SMILESCOc1ccc(C(=Cc2ccc(Br)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H19BrO2/c1-24-20-11-5-17(6-12-20)22(15-16-3-9-19(23)10-4-16)18-7-13-21(25-2)14-8-18/h3-15H,1-2H3
InChIKeySUEIGYAMLCCWTK-UHFFFAOYSA-N
MW395.30 g/mol
LogP6.06
Rot. Bonds5

About 1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene

1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene (PubChem CID 66556000) has the molecular formula C22H19BrO2 and a molecular weight of 395.30 g/mol. Its IUPAC name is 1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene.

Molecular Properties

Compound Name1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
PubChem CID66556000
Molecular FormulaC22H19BrO2
Molecular Weight395.30 g/mol
Exact Mass394.06
IUPAC Name1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
SMILESCOc1ccc(C(=Cc2ccc(Br)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H19BrO2/c1-24-20-11-5-17(6-12-20)22(15-16-3-9-19(23)10-4-16)18-7-13-21(25-2)14-8-18/h3-15H,1-2H3
InChIKeySUEIGYAMLCCWTK-UHFFFAOYSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.30
LogP ≤ 56.06
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

4-[2-(4-bromophenyl)-1-(4-hydroxyphenyl)ethenyl]phenol
CID 14065280
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58991857
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214278
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58325614
[4-[4-(hydroxymethyl)-N-[4-[(Z)-1-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-[(E)-2-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
CID 159978372
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 162409717

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene?
The IUPAC name of 1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene (CID 66556000) is 1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene.
What is the SMILES notation for 1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene?
The canonical SMILES for 1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene is COc1ccc(C(=Cc2ccc(Br)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene?
The InChIKey is SUEIGYAMLCCWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrO2/c1-24-20-11-5-17(6-12-20)22(15-16-3-9-19(23)10-4-16)18-7-13-21(25-2)14-8-18/h3-15H,1-2H3.
What are the key properties of 1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene?
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene has a molecular weight of 395.30 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene is sourced from PubChem (CID 66556000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).