2,4-dibromo-6-(3-bromoprop-1-enyl)phenol

C9H7Br3O — CID 169476608

IUPAC2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
SMILESOc1c(Br)cc(Br)cc1C=CCBr
InChIInChI=1S/C9H7Br3O/c10-3-1-2-6-4-7(11)5-8(12)9(6)13/h1-2,4-5,13H,3H2
InChIKeyCSGUUJJAXNXKNR-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.33
Rot. Bonds2

About 2,4-dibromo-6-(3-bromoprop-1-enyl)phenol

2,4-dibromo-6-(3-bromoprop-1-enyl)phenol (PubChem CID 169476608) has the molecular formula C9H7Br3O and a molecular weight of 370.87 g/mol. Its IUPAC name is 2,4-dibromo-6-(3-bromoprop-1-enyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
PubChem CID169476608
Molecular FormulaC9H7Br3O
Molecular Weight370.87 g/mol
Exact Mass367.80
IUPAC Name2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
SMILESOc1c(Br)cc(Br)cc1C=CCBr
InChIInChI=1S/C9H7Br3O/c10-3-1-2-6-4-7(11)5-8(12)9(6)13/h1-2,4-5,13H,3H2
InChIKeyCSGUUJJAXNXKNR-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(3-bromoprop-1-enyl)phenol?
The IUPAC name of 2,4-dibromo-6-(3-bromoprop-1-enyl)phenol (CID 169476608) is 2,4-dibromo-6-(3-bromoprop-1-enyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(3-bromoprop-1-enyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(3-bromoprop-1-enyl)phenol is Oc1c(Br)cc(Br)cc1C=CCBr.
What is the InChIKey of 2,4-dibromo-6-(3-bromoprop-1-enyl)phenol?
The InChIKey is CSGUUJJAXNXKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br3O/c10-3-1-2-6-4-7(11)5-8(12)9(6)13/h1-2,4-5,13H,3H2.
What are the key properties of 2,4-dibromo-6-(3-bromoprop-1-enyl)phenol?
2,4-dibromo-6-(3-bromoprop-1-enyl)phenol has a molecular weight of 370.87 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(3-bromoprop-1-enyl)phenol is sourced from PubChem (CID 169476608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).