3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene

C19H17Br — CID 126718482

IUPAC3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene
SMILESCC1(C)C=C(/C=C\c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C19H17Br/c1-19(2)13-15(17-5-3-4-6-18(17)19)10-7-14-8-11-16(20)12-9-14/h3-13H,1-2H3/b10-7-
InChIKeyBZFRHKCQNMBUFX-YFHOEESVSA-N
MW325.25 g/mol
LogP5.84
Rot. Bonds2

About 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene

3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene (PubChem CID 126718482) has the molecular formula C19H17Br and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene.

Molecular Properties

Compound Name3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene
PubChem CID126718482
Molecular FormulaC19H17Br
Molecular Weight325.25 g/mol
Exact Mass324.05
IUPAC Name3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene
SMILESCC1(C)C=C(/C=C\c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C19H17Br/c1-19(2)13-15(17-5-3-4-6-18(17)19)10-7-14-8-11-16(20)12-9-14/h3-13H,1-2H3/b10-7-
InChIKeyBZFRHKCQNMBUFX-YFHOEESVSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.25
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,25-bis[2-(4-bromophenyl)ethenyl]-3,3,28,28-tetramethylheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 76603988
(2E)-2-[(4-bromophenyl)methylidene]-3,3-dimethylinden-1-one
CID 118100348
9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
CID 142672624
3-chloro-1,1-dimethylindene
CID 154967780
4-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 165349864
2-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 70367525
1-bromo-3-[(Z)-2-(4-bromophenyl)ethenyl]benzene
CID 67720671
4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
CID 72540036
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
3-[(E)-but-2-enyl]-1,1-dimethylindene
CID 174296931
9-ethenyl-2-[(E)-2-(9-ethenyl-9-methylfluoren-2-yl)ethenyl]-9-methylfluorene
CID 134848562
1-bromo-4-[6-(4-bromophenyl)hexa-1,3,5-trienyl]benzene
CID 85439739

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene?
The IUPAC name of 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene (CID 126718482) is 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene.
What is the SMILES notation for 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene?
The canonical SMILES for 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene is CC1(C)C=C(/C=C\c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene?
The InChIKey is BZFRHKCQNMBUFX-YFHOEESVSA-N. The full InChI is InChI=1S/C19H17Br/c1-19(2)13-15(17-5-3-4-6-18(17)19)10-7-14-8-11-16(20)12-9-14/h3-13H,1-2H3/b10-7-.
What are the key properties of 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene?
3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene has a molecular weight of 325.25 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(4-bromophenyl)ethenyl]-1,1-dimethylindene is sourced from PubChem (CID 126718482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).