1-bromo-4-(1-phenylethenyl)benzene

C14H11Br — CID 11601330

IUPAC1-bromo-4-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11Br/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-10H,1H2
InChIKeyRFBNEESZDICKQI-UHFFFAOYSA-N
MW259.15 g/mol
LogP4.51
Rot. Bonds2

About 1-bromo-4-(1-phenylethenyl)benzene

1-bromo-4-(1-phenylethenyl)benzene (PubChem CID 11601330) has the molecular formula C14H11Br and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-bromo-4-(1-phenylethenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-phenylethenyl)benzene
PubChem CID11601330
Molecular FormulaC14H11Br
Molecular Weight259.15 g/mol
Exact Mass258.00
IUPAC Name1-bromo-4-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11Br/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-10H,1H2
InChIKeyRFBNEESZDICKQI-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-phenylethenyl)benzene?
The IUPAC name of 1-bromo-4-(1-phenylethenyl)benzene (CID 11601330) is 1-bromo-4-(1-phenylethenyl)benzene.
What is the SMILES notation for 1-bromo-4-(1-phenylethenyl)benzene?
The canonical SMILES for 1-bromo-4-(1-phenylethenyl)benzene is C=C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-phenylethenyl)benzene?
The InChIKey is RFBNEESZDICKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-10H,1H2.
What are the key properties of 1-bromo-4-(1-phenylethenyl)benzene?
1-bromo-4-(1-phenylethenyl)benzene has a molecular weight of 259.15 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-phenylethenyl)benzene is sourced from PubChem (CID 11601330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).