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

C16H15BrO2 — CID 10018825

IUPAC2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
SMILESCOc1cc(/C=C/c2ccccc2)cc(OC)c1Br
InChIInChI=1S/C16H15BrO2/c1-18-14-10-13(11-15(19-2)16(14)17)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
InChIKeyFSAQXUUAFIIOCB-CMDGGOBGSA-N
MW319.20 g/mol
LogP4.64
Rot. Bonds4

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

2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene (PubChem CID 10018825) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
PubChem CID10018825
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
SMILESCOc1cc(/C=C/c2ccccc2)cc(OC)c1Br
InChIInChI=1S/C16H15BrO2/c1-18-14-10-13(11-15(19-2)16(14)17)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
InChIKeyFSAQXUUAFIIOCB-CMDGGOBGSA-N
XLogP4.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene (CID 10018825) is 2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene is COc1cc(/C=C/c2ccccc2)cc(OC)c1Br.
What is the InChIKey of 2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene?
The InChIKey is FSAQXUUAFIIOCB-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-18-14-10-13(11-15(19-2)16(14)17)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+.
What are the key properties of 2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene?
2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene has a molecular weight of 319.20 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 10018825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).