1,3-dibromo-5-butan-2-ylbenzene

C10H12Br2 — CID 54340883

IUPAC1,3-dibromo-5-butan-2-ylbenzene
SMILESCCC(C)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H12Br2/c1-3-7(2)8-4-9(11)6-10(12)5-8/h4-7H,3H2,1-2H3
InChIKeyXZUGDICXMHMZQZ-UHFFFAOYSA-N
MW292.01 g/mol
LogP4.73
Rot. Bonds2

About 1,3-dibromo-5-butan-2-ylbenzene

1,3-dibromo-5-butan-2-ylbenzene (PubChem CID 54340883) has the molecular formula C10H12Br2 and a molecular weight of 292.01 g/mol. Its IUPAC name is 1,3-dibromo-5-butan-2-ylbenzene.

Molecular Properties

Compound Name1,3-dibromo-5-butan-2-ylbenzene
PubChem CID54340883
Molecular FormulaC10H12Br2
Molecular Weight292.01 g/mol
Exact Mass289.93
IUPAC Name1,3-dibromo-5-butan-2-ylbenzene
SMILESCCC(C)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H12Br2/c1-3-7(2)8-4-9(11)6-10(12)5-8/h4-7H,3H2,1-2H3
InChIKeyXZUGDICXMHMZQZ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-butan-2-yl-5-fluorobenzene
CID 130384481
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
1-(3,5-dibromophenyl)-2-ethylbutan-1-ol
CID 107978546
1-(3,5-dibromophenyl)ethanamine
CID 23147757
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
1-bromo-4-[(2S)-butan-2-yl]-2-fluorobenzene
CID 153332149
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
4-butan-2-yl-2,6-diethylaniline
CID 12905471
4-butan-2-yl-2,6-di(propan-2-yl)aniline
CID 58701369

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-butan-2-ylbenzene?
The IUPAC name of 1,3-dibromo-5-butan-2-ylbenzene (CID 54340883) is 1,3-dibromo-5-butan-2-ylbenzene.
What is the SMILES notation for 1,3-dibromo-5-butan-2-ylbenzene?
The canonical SMILES for 1,3-dibromo-5-butan-2-ylbenzene is CCC(C)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3-dibromo-5-butan-2-ylbenzene?
The InChIKey is XZUGDICXMHMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2/c1-3-7(2)8-4-9(11)6-10(12)5-8/h4-7H,3H2,1-2H3.
What are the key properties of 1,3-dibromo-5-butan-2-ylbenzene?
1,3-dibromo-5-butan-2-ylbenzene has a molecular weight of 292.01 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-butan-2-ylbenzene is sourced from PubChem (CID 54340883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).