1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene

C16H15BrO2 — CID 24721128

IUPAC1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(Br)cc2)cc(OC)c1
InChIInChI=1S/C16H15BrO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3+
InChIKeyLNIXLDMNAZUUGL-ONEGZZNKSA-N
MW319.20 g/mol
LogP4.64
Rot. Bonds4

About 1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene

1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene (PubChem CID 24721128) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene
PubChem CID24721128
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(Br)cc2)cc(OC)c1
InChIInChI=1S/C16H15BrO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3+
InChIKeyLNIXLDMNAZUUGL-ONEGZZNKSA-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 1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene (CID 24721128) is 1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene is COc1cc(/C=C/c2ccc(Br)cc2)cc(OC)c1.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene?
The InChIKey is LNIXLDMNAZUUGL-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3+.
What are the key properties of 1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene?
1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene 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 1-[(E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 24721128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).