2-bromobutane;1-(3-bromobutyl)-4-methylbenzene

C15H24Br2 — CID 160913632

IUPAC2-bromobutane;1-(3-bromobutyl)-4-methylbenzene
SMILESCCC(C)Br.Cc1ccc(CCC(C)Br)cc1
InChIInChI=1S/C11H15Br.C4H9Br/c1-9-3-6-11(7-4-9)8-5-10(2)12;1-3-4(2)5/h3-4,6-7,10H,5,8H2,1-2H3;4H,3H2,1-2H3
InChIKeySRCPYRBUOWOCKF-UHFFFAOYSA-N
MW364.17 g/mol
LogP5.89
Rot. Bonds4

About 2-bromobutane;1-(3-bromobutyl)-4-methylbenzene

2-bromobutane;1-(3-bromobutyl)-4-methylbenzene (PubChem CID 160913632) has the molecular formula C15H24Br2 and a molecular weight of 364.17 g/mol. Its IUPAC name is 2-bromobutane;1-(3-bromobutyl)-4-methylbenzene.

Molecular Properties

Compound Name2-bromobutane;1-(3-bromobutyl)-4-methylbenzene
PubChem CID160913632
Molecular FormulaC15H24Br2
Molecular Weight364.17 g/mol
Exact Mass362.02
IUPAC Name2-bromobutane;1-(3-bromobutyl)-4-methylbenzene
SMILESCCC(C)Br.Cc1ccc(CCC(C)Br)cc1
InChIInChI=1S/C11H15Br.C4H9Br/c1-9-3-6-11(7-4-9)8-5-10(2)12;1-3-4(2)5/h3-4,6-7,10H,5,8H2,1-2H3;4H,3H2,1-2H3
InChIKeySRCPYRBUOWOCKF-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.17
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(3S)-3-bromobutyl]benzene
CID 95239997
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
5-ethyl-1-(4-methylphenyl)heptan-3-ol
CID 105122523
1-[3-bromo-4-(4-fluorophenyl)butyl]-4-methylbenzene
CID 63542269
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
1-methyl-4-(4-methylnonyl)benzene
CID 59776274

Frequently Asked Questions

What is the IUPAC name of 2-bromobutane;1-(3-bromobutyl)-4-methylbenzene?
The IUPAC name of 2-bromobutane;1-(3-bromobutyl)-4-methylbenzene (CID 160913632) is 2-bromobutane;1-(3-bromobutyl)-4-methylbenzene.
What is the SMILES notation for 2-bromobutane;1-(3-bromobutyl)-4-methylbenzene?
The canonical SMILES for 2-bromobutane;1-(3-bromobutyl)-4-methylbenzene is CCC(C)Br.Cc1ccc(CCC(C)Br)cc1.
What is the InChIKey of 2-bromobutane;1-(3-bromobutyl)-4-methylbenzene?
The InChIKey is SRCPYRBUOWOCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br.C4H9Br/c1-9-3-6-11(7-4-9)8-5-10(2)12;1-3-4(2)5/h3-4,6-7,10H,5,8H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 2-bromobutane;1-(3-bromobutyl)-4-methylbenzene?
2-bromobutane;1-(3-bromobutyl)-4-methylbenzene has a molecular weight of 364.17 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobutane;1-(3-bromobutyl)-4-methylbenzene is sourced from PubChem (CID 160913632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).