2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene

C15H23Br — CID 83927526

IUPAC2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene
SMILESCCc1ccc(C(C)(C)C)cc1CCCBr
InChIInChI=1S/C15H23Br/c1-5-12-8-9-14(15(2,3)4)11-13(12)7-6-10-16/h8-9,11H,5-7,10H2,1-4H3
InChIKeyGLSBQDNMZGQGLJ-UHFFFAOYSA-N
MW283.25 g/mol
LogP4.87
Rot. Bonds4

About 2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene

2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene (PubChem CID 83927526) has the molecular formula C15H23Br and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene.

Molecular Properties

Compound Name2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene
PubChem CID83927526
Molecular FormulaC15H23Br
Molecular Weight283.25 g/mol
Exact Mass282.10
IUPAC Name2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene
SMILESCCc1ccc(C(C)(C)C)cc1CCCBr
InChIInChI=1S/C15H23Br/c1-5-12-8-9-14(15(2,3)4)11-13(12)7-6-10-16/h8-9,11H,5-7,10H2,1-4H3
InChIKeyGLSBQDNMZGQGLJ-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 54.87
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

4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene
CID 83927593
2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine
CID 83927536
2-(4-bromobutan-2-yl)-4-tert-butyl-1-ethylbenzene
CID 83927529
2-(3-bromopropyl)-1-methyl-4-(trifluoromethyl)benzene
CID 134621822
1-(3-bromopropyl)-4-ethoxy-2-ethylbenzene
CID 83941643
1-bromo-4-tert-butyl-2-propylbenzene
CID 174167812
2-(3,4-diethylphenyl)-2-methylpropan-1-ol
CID 117295283
ethyl 2-(3-bromopropyl)-4-(trifluoromethyl)benzoate
CID 134644303
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433
ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one
CID 83927567

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene?
The IUPAC name of 2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene (CID 83927526) is 2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene.
What is the SMILES notation for 2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene?
The canonical SMILES for 2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene is CCc1ccc(C(C)(C)C)cc1CCCBr.
What is the InChIKey of 2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene?
The InChIKey is GLSBQDNMZGQGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Br/c1-5-12-8-9-14(15(2,3)4)11-13(12)7-6-10-16/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of 2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene?
2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene has a molecular weight of 283.25 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene is sourced from PubChem (CID 83927526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).