4-bromo-2-ethenyl-1-prop-2-enoxybenzene

C11H11BrO — CID 10800000

IUPAC4-bromo-2-ethenyl-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(Br)cc1C=C
InChIInChI=1S/C11H11BrO/c1-3-7-13-11-6-5-10(12)8-9(11)4-2/h3-6,8H,1-2,7H2
InChIKeyNVGXBHABCFITGU-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.66
Rot. Bonds4

About 4-bromo-2-ethenyl-1-prop-2-enoxybenzene

4-bromo-2-ethenyl-1-prop-2-enoxybenzene (PubChem CID 10800000) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is 4-bromo-2-ethenyl-1-prop-2-enoxybenzene.

Molecular Properties

Compound Name4-bromo-2-ethenyl-1-prop-2-enoxybenzene
PubChem CID10800000
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name4-bromo-2-ethenyl-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(Br)cc1C=C
InChIInChI=1S/C11H11BrO/c1-3-7-13-11-6-5-10(12)8-9(11)4-2/h3-6,8H,1-2,7H2
InChIKeyNVGXBHABCFITGU-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethenyl-1-prop-2-enoxybenzene?
The IUPAC name of 4-bromo-2-ethenyl-1-prop-2-enoxybenzene (CID 10800000) is 4-bromo-2-ethenyl-1-prop-2-enoxybenzene.
What is the SMILES notation for 4-bromo-2-ethenyl-1-prop-2-enoxybenzene?
The canonical SMILES for 4-bromo-2-ethenyl-1-prop-2-enoxybenzene is C=CCOc1ccc(Br)cc1C=C.
What is the InChIKey of 4-bromo-2-ethenyl-1-prop-2-enoxybenzene?
The InChIKey is NVGXBHABCFITGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO/c1-3-7-13-11-6-5-10(12)8-9(11)4-2/h3-6,8H,1-2,7H2.
What are the key properties of 4-bromo-2-ethenyl-1-prop-2-enoxybenzene?
4-bromo-2-ethenyl-1-prop-2-enoxybenzene has a molecular weight of 239.11 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethenyl-1-prop-2-enoxybenzene is sourced from PubChem (CID 10800000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).