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

C9H8Br2O2 — CID 169454368

IUPAC2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
SMILESOCC=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H8Br2O2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-2,4-5,12-13H,3H2
InChIKeyFMGQHKLBMCCFSH-UHFFFAOYSA-N
MW307.97 g/mol
LogP2.92
Rot. Bonds2

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

2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol (PubChem CID 169454368) has the molecular formula C9H8Br2O2 and a molecular weight of 307.97 g/mol. Its IUPAC name is 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
PubChem CID169454368
Molecular FormulaC9H8Br2O2
Molecular Weight307.97 g/mol
Exact Mass305.89
IUPAC Name2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
SMILESOCC=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H8Br2O2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-2,4-5,12-13H,3H2
InChIKeyFMGQHKLBMCCFSH-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol?
The IUPAC name of 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol (CID 169454368) is 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol is OCC=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol?
The InChIKey is FMGQHKLBMCCFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O2/c10-7-4-6(2-1-3-12)9(13)8(11)5-7/h1-2,4-5,12-13H,3H2.
What are the key properties of 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol?
2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol has a molecular weight of 307.97 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol is sourced from PubChem (CID 169454368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).