3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene

C15H21Br — CID 82093929

IUPAC3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(CBr)C2CC2)c1C
InChIInChI=1S/C15H21Br/c1-9-7-10(2)12(4)15(11(9)3)14(8-16)13-5-6-13/h7,13-14H,5-6,8H2,1-4H3
InChIKeyIHFCOQQIBQVBAP-UHFFFAOYSA-N
MW281.24 g/mol
LogP4.81
Rot. Bonds3

About 3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene

3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene (PubChem CID 82093929) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene.

Molecular Properties

Compound Name3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene
PubChem CID82093929
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene
SMILESCc1cc(C)c(C)c(C(CBr)C2CC2)c1C
InChIInChI=1S/C15H21Br/c1-9-7-10(2)12(4)15(11(9)3)14(8-16)13-5-6-13/h7,13-14H,5-6,8H2,1-4H3
InChIKeyIHFCOQQIBQVBAP-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene?
The IUPAC name of 3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene (CID 82093929) is 3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene.
What is the SMILES notation for 3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene?
The canonical SMILES for 3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene is Cc1cc(C)c(C)c(C(CBr)C2CC2)c1C.
What is the InChIKey of 3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene?
The InChIKey is IHFCOQQIBQVBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-9-7-10(2)12(4)15(11(9)3)14(8-16)13-5-6-13/h7,13-14H,5-6,8H2,1-4H3.
What are the key properties of 3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene?
3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene has a molecular weight of 281.24 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene is sourced from PubChem (CID 82093929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).