1-bromo-4-cyclopropyl-2-methoxybenzene

C10H11BrO — CID 66520865

IUPAC1-bromo-4-cyclopropyl-2-methoxybenzene
SMILESCOc1cc(C2CC2)ccc1Br
InChIInChI=1S/C10H11BrO/c1-12-10-6-8(7-2-3-7)4-5-9(10)11/h4-7H,2-3H2,1H3
InChIKeyBKHSINCNNLGUMK-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.34
Rot. Bonds2

About 1-bromo-4-cyclopropyl-2-methoxybenzene

1-bromo-4-cyclopropyl-2-methoxybenzene (PubChem CID 66520865) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-bromo-4-cyclopropyl-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-cyclopropyl-2-methoxybenzene
PubChem CID66520865
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-bromo-4-cyclopropyl-2-methoxybenzene
SMILESCOc1cc(C2CC2)ccc1Br
InChIInChI=1S/C10H11BrO/c1-12-10-6-8(7-2-3-7)4-5-9(10)11/h4-7H,2-3H2,1H3
InChIKeyBKHSINCNNLGUMK-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 1-bromo-4-cyclopropyl-2-methoxybenzene?
The IUPAC name of 1-bromo-4-cyclopropyl-2-methoxybenzene (CID 66520865) is 1-bromo-4-cyclopropyl-2-methoxybenzene.
What is the SMILES notation for 1-bromo-4-cyclopropyl-2-methoxybenzene?
The canonical SMILES for 1-bromo-4-cyclopropyl-2-methoxybenzene is COc1cc(C2CC2)ccc1Br.
What is the InChIKey of 1-bromo-4-cyclopropyl-2-methoxybenzene?
The InChIKey is BKHSINCNNLGUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-12-10-6-8(7-2-3-7)4-5-9(10)11/h4-7H,2-3H2,1H3.
What are the key properties of 1-bromo-4-cyclopropyl-2-methoxybenzene?
1-bromo-4-cyclopropyl-2-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 1-bromo-4-cyclopropyl-2-methoxybenzene is sourced from PubChem (CID 66520865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).