2-bromo-1-cyclopropyl-3-methoxybenzene

C10H11BrO — CID 130114065

IUPAC2-bromo-1-cyclopropyl-3-methoxybenzene
SMILESCOc1cccc(C2CC2)c1Br
InChIInChI=1S/C10H11BrO/c1-12-9-4-2-3-8(10(9)11)7-5-6-7/h2-4,7H,5-6H2,1H3
InChIKeyAMFQKEKPPIYOJZ-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.34
Rot. Bonds2

About 2-bromo-1-cyclopropyl-3-methoxybenzene

2-bromo-1-cyclopropyl-3-methoxybenzene (PubChem CID 130114065) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-bromo-1-cyclopropyl-3-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-cyclopropyl-3-methoxybenzene
PubChem CID130114065
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name2-bromo-1-cyclopropyl-3-methoxybenzene
SMILESCOc1cccc(C2CC2)c1Br
InChIInChI=1S/C10H11BrO/c1-12-9-4-2-3-8(10(9)11)7-5-6-7/h2-4,7H,5-6H2,1H3
InChIKeyAMFQKEKPPIYOJZ-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclopropyl-3-methoxybenzene?
The IUPAC name of 2-bromo-1-cyclopropyl-3-methoxybenzene (CID 130114065) is 2-bromo-1-cyclopropyl-3-methoxybenzene.
What is the SMILES notation for 2-bromo-1-cyclopropyl-3-methoxybenzene?
The canonical SMILES for 2-bromo-1-cyclopropyl-3-methoxybenzene is COc1cccc(C2CC2)c1Br.
What is the InChIKey of 2-bromo-1-cyclopropyl-3-methoxybenzene?
The InChIKey is AMFQKEKPPIYOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-12-9-4-2-3-8(10(9)11)7-5-6-7/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-bromo-1-cyclopropyl-3-methoxybenzene?
2-bromo-1-cyclopropyl-3-methoxybenzene has a molecular weight of 227.10 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclopropyl-3-methoxybenzene is sourced from PubChem (CID 130114065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).