2,4-dibromo-6-prop-2-enylphenol

C9H8Br2O — CID 13061843

IUPAC2,4-dibromo-6-prop-2-enylphenol
SMILESC=CCc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H8Br2O/c1-2-3-6-4-7(10)5-8(11)9(6)12/h2,4-5,12H,1,3H2
InChIKeyYUVIPPMMXZSTIS-UHFFFAOYSA-N
MW291.97 g/mol
LogP3.65
Rot. Bonds2

About 2,4-dibromo-6-prop-2-enylphenol

2,4-dibromo-6-prop-2-enylphenol (PubChem CID 13061843) has the molecular formula C9H8Br2O and a molecular weight of 291.97 g/mol. Its IUPAC name is 2,4-dibromo-6-prop-2-enylphenol.

Molecular Properties

Compound Name2,4-dibromo-6-prop-2-enylphenol
PubChem CID13061843
Molecular FormulaC9H8Br2O
Molecular Weight291.97 g/mol
Exact Mass289.89
IUPAC Name2,4-dibromo-6-prop-2-enylphenol
SMILESC=CCc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H8Br2O/c1-2-3-6-4-7(10)5-8(11)9(6)12/h2,4-5,12H,1,3H2
InChIKeyYUVIPPMMXZSTIS-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 53.65
H-Bond Donors ≤ 51
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 2,4-dibromo-6-prop-2-enylphenol?
The IUPAC name of 2,4-dibromo-6-prop-2-enylphenol (CID 13061843) is 2,4-dibromo-6-prop-2-enylphenol.
What is the SMILES notation for 2,4-dibromo-6-prop-2-enylphenol?
The canonical SMILES for 2,4-dibromo-6-prop-2-enylphenol is C=CCc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-prop-2-enylphenol?
The InChIKey is YUVIPPMMXZSTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O/c1-2-3-6-4-7(10)5-8(11)9(6)12/h2,4-5,12H,1,3H2.
What are the key properties of 2,4-dibromo-6-prop-2-enylphenol?
2,4-dibromo-6-prop-2-enylphenol has a molecular weight of 291.97 g/mol, XLogP of 3.65, 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-prop-2-enylphenol is sourced from PubChem (CID 13061843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).