2-bromophenol;3-bromoprop-1-ene

C9H10Br2O — CID 175256619

IUPAC2-bromophenol;3-bromoprop-1-ene
SMILESC=CCBr.Oc1ccccc1Br
InChIInChI=1S/C6H5BrO.C3H5Br/c7-5-3-1-2-4-6(5)8;1-2-3-4/h1-4,8H;2H,1,3H2
InChIKeyYPDCPSDULLNJLO-UHFFFAOYSA-N
MW293.99 g/mol
LogP3.72
Rot. Bonds1

About 2-bromophenol;3-bromoprop-1-ene

2-bromophenol;3-bromoprop-1-ene (PubChem CID 175256619) has the molecular formula C9H10Br2O and a molecular weight of 293.99 g/mol. Its IUPAC name is 2-bromophenol;3-bromoprop-1-ene.

Molecular Properties

Compound Name2-bromophenol;3-bromoprop-1-ene
PubChem CID175256619
Molecular FormulaC9H10Br2O
Molecular Weight293.99 g/mol
Exact Mass291.91
IUPAC Name2-bromophenol;3-bromoprop-1-ene
SMILESC=CCBr.Oc1ccccc1Br
InChIInChI=1S/C6H5BrO.C3H5Br/c7-5-3-1-2-4-6(5)8;1-2-3-4/h1-4,8H;2H,1,3H2
InChIKeyYPDCPSDULLNJLO-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-bromoprop-1-ene;zinc
CID 87243076
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bis(2-bromophenol);bis(1,5-dimethylcyclopenta-1,3-diene);zirconium(2+)
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Frequently Asked Questions

What is the IUPAC name of 2-bromophenol;3-bromoprop-1-ene?
The IUPAC name of 2-bromophenol;3-bromoprop-1-ene (CID 175256619) is 2-bromophenol;3-bromoprop-1-ene.
What is the SMILES notation for 2-bromophenol;3-bromoprop-1-ene?
The canonical SMILES for 2-bromophenol;3-bromoprop-1-ene is C=CCBr.Oc1ccccc1Br.
What is the InChIKey of 2-bromophenol;3-bromoprop-1-ene?
The InChIKey is YPDCPSDULLNJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO.C3H5Br/c7-5-3-1-2-4-6(5)8;1-2-3-4/h1-4,8H;2H,1,3H2.
What are the key properties of 2-bromophenol;3-bromoprop-1-ene?
2-bromophenol;3-bromoprop-1-ene has a molecular weight of 293.99 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromophenol;3-bromoprop-1-ene is sourced from PubChem (CID 175256619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).