1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol

C10H10Br2O — CID 107947627

IUPAC1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2O/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-5,10,13H,1H2,2H3
InChIKeyCRIDEPAIPGOZTA-UHFFFAOYSA-N
MW306.00 g/mol
LogP3.82
Rot. Bonds2

About 1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol

1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol (PubChem CID 107947627) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol
PubChem CID107947627
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2O/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-5,10,13H,1H2,2H3
InChIKeyCRIDEPAIPGOZTA-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
1-(2,4-dibromophenyl)but-3-en-1-ol
CID 107947309
(2,4-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955363
1-(2,4-dibromophenyl)-3-methylbut-2-en-1-amine
CID 107946251
(2,4-dibromophenyl)-(2,4,5-trimethylphenyl)methanol
CID 107947548
(2,4-dibromophenyl)-(3,5-dimethylphenyl)methanol
CID 107947280
(2,4-dibromophenyl)-(2,4-dimethylphenyl)methanol
CID 107947470
3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol
CID 107955003
2,4-dibromo-1-(dimethoxymethyl)benzene
CID 72706043
(2,4-dibromophenyl)-(2,5-dimethylphenyl)methanol
CID 114019435
2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol
CID 107955010
1-(2,4-dibromophenyl)hex-5-en-1-ol
CID 107947534

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol (CID 107947627) is 1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol is C=C(C)C(O)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol?
The InChIKey is CRIDEPAIPGOZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O/c1-6(2)10(13)8-4-3-7(11)5-9(8)12/h3-5,10,13H,1H2,2H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol?
1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol has a molecular weight of 306.00 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 107947627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).