1-(3-bromopropyl)-2,3-dimethylbenzene

C11H15Br — CID 59407640

IUPAC1-(3-bromopropyl)-2,3-dimethylbenzene
SMILESCc1cccc(CCCBr)c1C
InChIInChI=1S/C11H15Br/c1-9-5-3-6-11(10(9)2)7-4-8-12/h3,5-6H,4,7-8H2,1-2H3
InChIKeyCPTZYKPOMOUZHQ-UHFFFAOYSA-N
MW227.14 g/mol
LogP3.63
Rot. Bonds3

About 1-(3-bromopropyl)-2,3-dimethylbenzene

1-(3-bromopropyl)-2,3-dimethylbenzene (PubChem CID 59407640) has the molecular formula C11H15Br and a molecular weight of 227.14 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(3-bromopropyl)-2,3-dimethylbenzene
PubChem CID59407640
Molecular FormulaC11H15Br
Molecular Weight227.14 g/mol
Exact Mass226.04
IUPAC Name1-(3-bromopropyl)-2,3-dimethylbenzene
SMILESCc1cccc(CCCBr)c1C
InChIInChI=1S/C11H15Br/c1-9-5-3-6-11(10(9)2)7-4-8-12/h3,5-6H,4,7-8H2,1-2H3
InChIKeyCPTZYKPOMOUZHQ-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 53.63
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-(3-bromopropyl)-3-chloro-2-methylbenzene
CID 59407894
2-(3-bromopropyl)-6-methylbenzenethiol
CID 130787969
azane;1-decyl-2,3-dimethylbenzene;hydrate
CID 174675361
3-(3-bromopropyl)-2-methylbenzenesulfonamide
CID 164925582
CID 67581548
CID 67581548
1,2-dimethyl-3-octadecylbenzene;methanamine;hydrobromide
CID 174529891
1-[2-[2-(2,3-dimethylphenyl)ethoxy]ethyl]-2,3-dimethylbenzene
CID 139601612
1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
1-(bromomethyl)-2,3-dimethylbenzene;triphenylphosphane
CID 87191427
2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole
CID 70557696
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2,3-dimethylbenzene?
The IUPAC name of 1-(3-bromopropyl)-2,3-dimethylbenzene (CID 59407640) is 1-(3-bromopropyl)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(3-bromopropyl)-2,3-dimethylbenzene?
The canonical SMILES for 1-(3-bromopropyl)-2,3-dimethylbenzene is Cc1cccc(CCCBr)c1C.
What is the InChIKey of 1-(3-bromopropyl)-2,3-dimethylbenzene?
The InChIKey is CPTZYKPOMOUZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br/c1-9-5-3-6-11(10(9)2)7-4-8-12/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 1-(3-bromopropyl)-2,3-dimethylbenzene?
1-(3-bromopropyl)-2,3-dimethylbenzene has a molecular weight of 227.14 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-2,3-dimethylbenzene is sourced from PubChem (CID 59407640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).