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

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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).