1-(2,4-dibromophenyl)but-3-en-1-ol

C10H10Br2O — CID 107947309

IUPAC1-(2,4-dibromophenyl)but-3-en-1-ol
SMILESC=CCC(O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2O/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h2,4-6,10,13H,1,3H2
InChIKeyFGEWWOSZSTUBFW-UHFFFAOYSA-N
MW306.00 g/mol
LogP3.82
Rot. Bonds3

About 1-(2,4-dibromophenyl)but-3-en-1-ol

1-(2,4-dibromophenyl)but-3-en-1-ol (PubChem CID 107947309) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)but-3-en-1-ol
PubChem CID107947309
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name1-(2,4-dibromophenyl)but-3-en-1-ol
SMILESC=CCC(O)c1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2O/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h2,4-6,10,13H,1,3H2
InChIKeyFGEWWOSZSTUBFW-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)but-3-en-1-ol?
The IUPAC name of 1-(2,4-dibromophenyl)but-3-en-1-ol (CID 107947309) is 1-(2,4-dibromophenyl)but-3-en-1-ol.
What is the SMILES notation for 1-(2,4-dibromophenyl)but-3-en-1-ol?
The canonical SMILES for 1-(2,4-dibromophenyl)but-3-en-1-ol is C=CCC(O)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)but-3-en-1-ol?
The InChIKey is FGEWWOSZSTUBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h2,4-6,10,13H,1,3H2.
What are the key properties of 1-(2,4-dibromophenyl)but-3-en-1-ol?
1-(2,4-dibromophenyl)but-3-en-1-ol has a molecular weight of 306.00 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)but-3-en-1-ol is sourced from PubChem (CID 107947309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).