1,2,3-tribromo-4-prop-2-enoxybenzene

C9H7Br3O — CID 3015319

IUPAC1,2,3-tribromo-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(Br)c(Br)c1Br
InChIInChI=1S/C9H7Br3O/c1-2-5-13-7-4-3-6(10)8(11)9(7)12/h2-4H,1,5H2
InChIKeyFJNNYLPBIOZVIQ-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.54
Rot. Bonds3

About 1,2,3-tribromo-4-prop-2-enoxybenzene

1,2,3-tribromo-4-prop-2-enoxybenzene (PubChem CID 3015319) has the molecular formula C9H7Br3O and a molecular weight of 370.87 g/mol. Its IUPAC name is 1,2,3-tribromo-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1,2,3-tribromo-4-prop-2-enoxybenzene
PubChem CID3015319
Molecular FormulaC9H7Br3O
Molecular Weight370.87 g/mol
Exact Mass367.80
IUPAC Name1,2,3-tribromo-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(Br)c(Br)c1Br
InChIInChI=1S/C9H7Br3O/c1-2-5-13-7-4-3-6(10)8(11)9(7)12/h2-4H,1,5H2
InChIKeyFJNNYLPBIOZVIQ-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-tribromo-4-prop-2-enoxybenzene?
The IUPAC name of 1,2,3-tribromo-4-prop-2-enoxybenzene (CID 3015319) is 1,2,3-tribromo-4-prop-2-enoxybenzene.
What is the SMILES notation for 1,2,3-tribromo-4-prop-2-enoxybenzene?
The canonical SMILES for 1,2,3-tribromo-4-prop-2-enoxybenzene is C=CCOc1ccc(Br)c(Br)c1Br.
What is the InChIKey of 1,2,3-tribromo-4-prop-2-enoxybenzene?
The InChIKey is FJNNYLPBIOZVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br3O/c1-2-5-13-7-4-3-6(10)8(11)9(7)12/h2-4H,1,5H2.
What are the key properties of 1,2,3-tribromo-4-prop-2-enoxybenzene?
1,2,3-tribromo-4-prop-2-enoxybenzene has a molecular weight of 370.87 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromo-4-prop-2-enoxybenzene is sourced from PubChem (CID 3015319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).