1-(2,5-dibromophenyl)-3-methylbutan-1-ol

C11H14Br2O — CID 61100587

IUPAC1-(2,5-dibromophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2O/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,14H,5H2,1-2H3
InChIKeyDOGLSUAHNGZSPU-UHFFFAOYSA-N
MW322.04 g/mol
LogP4.29
Rot. Bonds3

About 1-(2,5-dibromophenyl)-3-methylbutan-1-ol

1-(2,5-dibromophenyl)-3-methylbutan-1-ol (PubChem CID 61100587) has the molecular formula C11H14Br2O and a molecular weight of 322.04 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-3-methylbutan-1-ol
PubChem CID61100587
Molecular FormulaC11H14Br2O
Molecular Weight322.04 g/mol
Exact Mass319.94
IUPAC Name1-(2,5-dibromophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H14Br2O/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,14H,5H2,1-2H3
InChIKeyDOGLSUAHNGZSPU-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.04
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-methylphenyl)-3-methylbutan-1-ol
CID 83988258
1-(2-bromo-5-phenoxyphenyl)-3-methylbutan-1-ol
CID 83988700
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
CID 115829693
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 62373578
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
1-(6-bromoquinolin-2-yl)-3-methylbutan-1-ol
CID 118279687
2,2-dichloro-1-(2,5-dibromophenyl)ethanol
CID 163445311
1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 103210074
1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832427
1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol
CID 82928590

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2,5-dibromophenyl)-3-methylbutan-1-ol (CID 61100587) is 1-(2,5-dibromophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2,5-dibromophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2,5-dibromophenyl)-3-methylbutan-1-ol is CC(C)CC(O)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-3-methylbutan-1-ol?
The InChIKey is DOGLSUAHNGZSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,14H,5H2,1-2H3.
What are the key properties of 1-(2,5-dibromophenyl)-3-methylbutan-1-ol?
1-(2,5-dibromophenyl)-3-methylbutan-1-ol has a molecular weight of 322.04 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 61100587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).