1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene

C22H27Br — CID 10714265

IUPAC1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene
SMILESCC(C)(C)c1cc(/C=C\c2ccccc2Br)cc(C(C)(C)C)c1
InChIInChI=1S/C22H27Br/c1-21(2,3)18-13-16(14-19(15-18)22(4,5)6)11-12-17-9-7-8-10-20(17)23/h7-15H,1-6H3/b12-11-
InChIKeyCIZUNYLALOJKKY-QXMHVHEDSA-N
MW371.36 g/mol
LogP7.21
Rot. Bonds2

About 1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene

1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene (PubChem CID 10714265) has the molecular formula C22H27Br and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene
PubChem CID10714265
Molecular FormulaC22H27Br
Molecular Weight371.36 g/mol
Exact Mass370.13
IUPAC Name1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene
SMILESCC(C)(C)c1cc(/C=C\c2ccccc2Br)cc(C(C)(C)C)c1
InChIInChI=1S/C22H27Br/c1-21(2,3)18-13-16(14-19(15-18)22(4,5)6)11-12-17-9-7-8-10-20(17)23/h7-15H,1-6H3/b12-11-
InChIKeyCIZUNYLALOJKKY-QXMHVHEDSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene?
The IUPAC name of 1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene (CID 10714265) is 1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene.
What is the SMILES notation for 1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene?
The canonical SMILES for 1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene is CC(C)(C)c1cc(/C=C\c2ccccc2Br)cc(C(C)(C)C)c1.
What is the InChIKey of 1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene?
The InChIKey is CIZUNYLALOJKKY-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H27Br/c1-21(2,3)18-13-16(14-19(15-18)22(4,5)6)11-12-17-9-7-8-10-20(17)23/h7-15H,1-6H3/b12-11-.
What are the key properties of 1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene?
1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene has a molecular weight of 371.36 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene is sourced from PubChem (CID 10714265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).