1,4-dibromo-2,5-di(pentan-3-yloxy)benzene

C16H24Br2O2 — CID 102111957

IUPAC1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
SMILESCCC(CC)Oc1cc(Br)c(OC(CC)CC)cc1Br
InChIInChI=1S/C16H24Br2O2/c1-5-11(6-2)19-15-9-14(18)16(10-13(15)17)20-12(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyOEWUWQNCMUHASY-UHFFFAOYSA-N
MW408.17 g/mol
LogP6.35
Rot. Bonds8

About 1,4-dibromo-2,5-di(pentan-3-yloxy)benzene

1,4-dibromo-2,5-di(pentan-3-yloxy)benzene (PubChem CID 102111957) has the molecular formula C16H24Br2O2 and a molecular weight of 408.17 g/mol. Its IUPAC name is 1,4-dibromo-2,5-di(pentan-3-yloxy)benzene.

Molecular Properties

Compound Name1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
PubChem CID102111957
Molecular FormulaC16H24Br2O2
Molecular Weight408.17 g/mol
Exact Mass406.01
IUPAC Name1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
SMILESCCC(CC)Oc1cc(Br)c(OC(CC)CC)cc1Br
InChIInChI=1S/C16H24Br2O2/c1-5-11(6-2)19-15-9-14(18)16(10-13(15)17)20-12(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyOEWUWQNCMUHASY-UHFFFAOYSA-N
XLogP6.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.17
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine
CID 79404261
5-bromo-4-fluoro-2-pentan-3-yloxyaniline
CID 103482882
1-bromo-2-hexan-3-yloxybenzene
CID 66986707
4-bromo-2-chloro-1-pentan-3-yloxybenzene
CID 68867581
2-(2,5-dibromo-4-methoxyphenoxy)-N-methylpentan-1-amine
CID 83046199
3-(2-bromo-4-fluorophenoxy)pentanethioamide
CID 43368657
3-(2-bromo-4-methylphenoxy)pentanenitrile
CID 43368073
1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene
CID 69347469
(1R)-1-(4-bromo-2-pentan-3-yloxyphenyl)ethanamine
CID 102946639
5-bromo-2-pentan-3-yloxybenzonitrile
CID 83146232
2-(2-bromo-4-chlorophenoxy)-N-ethylbutan-1-amine
CID 62459460
3-(2-bromo-4-fluorophenoxy)-N'-hydroxypentanimidamide
CID 43368616

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,5-di(pentan-3-yloxy)benzene?
The IUPAC name of 1,4-dibromo-2,5-di(pentan-3-yloxy)benzene (CID 102111957) is 1,4-dibromo-2,5-di(pentan-3-yloxy)benzene.
What is the SMILES notation for 1,4-dibromo-2,5-di(pentan-3-yloxy)benzene?
The canonical SMILES for 1,4-dibromo-2,5-di(pentan-3-yloxy)benzene is CCC(CC)Oc1cc(Br)c(OC(CC)CC)cc1Br.
What is the InChIKey of 1,4-dibromo-2,5-di(pentan-3-yloxy)benzene?
The InChIKey is OEWUWQNCMUHASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2O2/c1-5-11(6-2)19-15-9-14(18)16(10-13(15)17)20-12(7-3)8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,4-dibromo-2,5-di(pentan-3-yloxy)benzene?
1,4-dibromo-2,5-di(pentan-3-yloxy)benzene has a molecular weight of 408.17 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2,5-di(pentan-3-yloxy)benzene is sourced from PubChem (CID 102111957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).