2,3-dibromo-4-prop-2-enylphenol

C9H8Br2O — CID 139724573

IUPAC2,3-dibromo-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(Br)c1Br
InChIInChI=1S/C9H8Br2O/c1-2-3-6-4-5-7(12)9(11)8(6)10/h2,4-5,12H,1,3H2
InChIKeyZYFFTWWFJXMBGU-UHFFFAOYSA-N
MW291.97 g/mol
LogP3.65
Rot. Bonds2

About 2,3-dibromo-4-prop-2-enylphenol

2,3-dibromo-4-prop-2-enylphenol (PubChem CID 139724573) has the molecular formula C9H8Br2O and a molecular weight of 291.97 g/mol. Its IUPAC name is 2,3-dibromo-4-prop-2-enylphenol.

Molecular Properties

Compound Name2,3-dibromo-4-prop-2-enylphenol
PubChem CID139724573
Molecular FormulaC9H8Br2O
Molecular Weight291.97 g/mol
Exact Mass289.89
IUPAC Name2,3-dibromo-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(Br)c1Br
InChIInChI=1S/C9H8Br2O/c1-2-3-6-4-5-7(12)9(11)8(6)10/h2,4-5,12H,1,3H2
InChIKeyZYFFTWWFJXMBGU-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'}

Analyze 2,3-dibromo-4-prop-2-enylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-ol
CID 67107270
3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol
CID 157436892
4-(4-hydroxyphenyl)-2-prop-2-enylphenol
CID 70597664
4-bromo-3-prop-2-enylphenol
CID 59860912
2-methoxy-3-methyl-4-prop-2-enylphenol
CID 15607491
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
boric acid;2-prop-2-enylphenol
CID 70457137
4-bromo-5-methyl-2-prop-2-enylphenol
CID 142719301
5-prop-2-enylnaphthalen-1-ol
CID 139534699
5-methoxy-2-prop-2-enylphenol
CID 6424515
4-prop-2-enoxy-2-prop-2-enylphenol
CID 45091477
4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-prop-2-enylphenol?
The IUPAC name of 2,3-dibromo-4-prop-2-enylphenol (CID 139724573) is 2,3-dibromo-4-prop-2-enylphenol.
What is the SMILES notation for 2,3-dibromo-4-prop-2-enylphenol?
The canonical SMILES for 2,3-dibromo-4-prop-2-enylphenol is C=CCc1ccc(O)c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-4-prop-2-enylphenol?
The InChIKey is ZYFFTWWFJXMBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O/c1-2-3-6-4-5-7(12)9(11)8(6)10/h2,4-5,12H,1,3H2.
What are the key properties of 2,3-dibromo-4-prop-2-enylphenol?
2,3-dibromo-4-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 2,3-dibromo-4-prop-2-enylphenol is sourced from PubChem (CID 139724573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).