2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene

C16H15Br — CID 166844983

IUPAC2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
SMILESCc1cc(/C=C/c2ccccc2)cc(C)c1Br
InChIInChI=1S/C16H15Br/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+
InChIKeyBKEIBVQUIFREEO-CMDGGOBGSA-N
MW287.20 g/mol
LogP5.24
Rot. Bonds2

About 2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene

2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene (PubChem CID 166844983) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
PubChem CID166844983
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene
SMILESCc1cc(/C=C/c2ccccc2)cc(C)c1Br
InChIInChI=1S/C16H15Br/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+
InChIKeyBKEIBVQUIFREEO-CMDGGOBGSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.20
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo-5-(2-phenylethenyl)benzene
CID 74389715
2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
CID 6071425
(2-methylphenyl)-[2-methyl-4-(2-phenylethenyl)phenyl]phosphane
CID 68912832
2-methyl-5-(2-phenylethenyl)benzene-1,3-diol
CID 68629496
2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
CID 177422540
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-[(E)-2-phenylethenyl]azulene
CID 12674002
CID 69293722
CID 69293722
1-bromo-3-[(E)-2-phenylethenyl]benzene
CID 5374624
3-(4-bromo-3,5-dimethylphenyl)prop-2-enenitrile
CID 169336389
N,N-dimethylmethanamine;stilbene
CID 174368184

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene (CID 166844983) is 2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene is Cc1cc(/C=C/c2ccccc2)cc(C)c1Br.
What is the InChIKey of 2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene?
The InChIKey is BKEIBVQUIFREEO-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15Br/c1-12-10-15(11-13(2)16(12)17)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+.
What are the key properties of 2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene?
2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene has a molecular weight of 287.20 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dimethyl-5-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 166844983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).