2-bromo-4-cyclopropyl-1-methylbenzene

C10H11Br — CID 66521055

IUPAC2-bromo-4-cyclopropyl-1-methylbenzene
SMILESCc1ccc(C2CC2)cc1Br
InChIInChI=1S/C10H11Br/c1-7-2-3-9(6-10(7)11)8-4-5-8/h2-3,6,8H,4-5H2,1H3
InChIKeyZYEWRSJOVSEUSL-UHFFFAOYSA-N
MW211.10 g/mol
LogP3.63
Rot. Bonds1

About 2-bromo-4-cyclopropyl-1-methylbenzene

2-bromo-4-cyclopropyl-1-methylbenzene (PubChem CID 66521055) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 2-bromo-4-cyclopropyl-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-cyclopropyl-1-methylbenzene
PubChem CID66521055
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name2-bromo-4-cyclopropyl-1-methylbenzene
SMILESCc1ccc(C2CC2)cc1Br
InChIInChI=1S/C10H11Br/c1-7-2-3-9(6-10(7)11)8-4-5-8/h2-3,6,8H,4-5H2,1H3
InChIKeyZYEWRSJOVSEUSL-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-cyclopropyl-1-methylbenzene?
The IUPAC name of 2-bromo-4-cyclopropyl-1-methylbenzene (CID 66521055) is 2-bromo-4-cyclopropyl-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-cyclopropyl-1-methylbenzene?
The canonical SMILES for 2-bromo-4-cyclopropyl-1-methylbenzene is Cc1ccc(C2CC2)cc1Br.
What is the InChIKey of 2-bromo-4-cyclopropyl-1-methylbenzene?
The InChIKey is ZYEWRSJOVSEUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br/c1-7-2-3-9(6-10(7)11)8-4-5-8/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 2-bromo-4-cyclopropyl-1-methylbenzene?
2-bromo-4-cyclopropyl-1-methylbenzene has a molecular weight of 211.10 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyclopropyl-1-methylbenzene is sourced from PubChem (CID 66521055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).