1-(2,4-dibromophenyl)hex-5-en-1-ol

C12H14Br2O — CID 107947534

IUPAC1-(2,4-dibromophenyl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H14Br2O/c1-2-3-4-5-12(15)10-7-6-9(13)8-11(10)14/h2,6-8,12,15H,1,3-5H2
InChIKeyWYZDJIRPXCNKSO-UHFFFAOYSA-N
MW334.05 g/mol
LogP4.60
Rot. Bonds5

About 1-(2,4-dibromophenyl)hex-5-en-1-ol

1-(2,4-dibromophenyl)hex-5-en-1-ol (PubChem CID 107947534) has the molecular formula C12H14Br2O and a molecular weight of 334.05 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)hex-5-en-1-ol
PubChem CID107947534
Molecular FormulaC12H14Br2O
Molecular Weight334.05 g/mol
Exact Mass331.94
IUPAC Name1-(2,4-dibromophenyl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H14Br2O/c1-2-3-4-5-12(15)10-7-6-9(13)8-11(10)14/h2,6-8,12,15H,1,3-5H2
InChIKeyWYZDJIRPXCNKSO-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.05
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dibromophenyl)but-3-en-1-ol
CID 107947309
1-(2,4-dibromophenyl)hex-5-enylhydrazine
CID 107948272
1-(2,4-dibromophenyl)oct-7-en-1-amine
CID 107947175
1-(2,4-dibromophenyl)hex-4-yn-1-ol
CID 107947793
1-(2,4-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107945979
1-(2-bromo-4-methylphenyl)hex-5-en-1-amine
CID 104987112
1-(4-bromo-2-methoxyphenyl)hex-5-enylhydrazine
CID 105311425
1-(2-bromo-5-fluorophenyl)pent-4-en-1-ol
CID 115804823
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
1-(2-bromofuran-3-yl)oct-7-en-1-ol
CID 107012254
1-(3-bromophenyl)pent-4-en-1-ol
CID 14665893
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)hex-5-en-1-ol?
The IUPAC name of 1-(2,4-dibromophenyl)hex-5-en-1-ol (CID 107947534) is 1-(2,4-dibromophenyl)hex-5-en-1-ol.
What is the SMILES notation for 1-(2,4-dibromophenyl)hex-5-en-1-ol?
The canonical SMILES for 1-(2,4-dibromophenyl)hex-5-en-1-ol is C=CCCCC(O)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)hex-5-en-1-ol?
The InChIKey is WYZDJIRPXCNKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2O/c1-2-3-4-5-12(15)10-7-6-9(13)8-11(10)14/h2,6-8,12,15H,1,3-5H2.
What are the key properties of 1-(2,4-dibromophenyl)hex-5-en-1-ol?
1-(2,4-dibromophenyl)hex-5-en-1-ol has a molecular weight of 334.05 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)hex-5-en-1-ol is sourced from PubChem (CID 107947534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).