4-bromo-1-chloro-2-cyclopropyloxybenzene

C9H8BrClO — CID 58007571

IUPAC4-bromo-1-chloro-2-cyclopropyloxybenzene
SMILESClc1ccc(Br)cc1OC1CC1
InChIInChI=1S/C9H8BrClO/c10-6-1-4-8(11)9(5-6)12-7-2-3-7/h1,4-5,7H,2-3H2
InChIKeyYRKRIHVMCHWRAE-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.64
Rot. Bonds2

About 4-bromo-1-chloro-2-cyclopropyloxybenzene

4-bromo-1-chloro-2-cyclopropyloxybenzene (PubChem CID 58007571) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-cyclopropyloxybenzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-cyclopropyloxybenzene
PubChem CID58007571
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name4-bromo-1-chloro-2-cyclopropyloxybenzene
SMILESClc1ccc(Br)cc1OC1CC1
InChIInChI=1S/C9H8BrClO/c10-6-1-4-8(11)9(5-6)12-7-2-3-7/h1,4-5,7H,2-3H2
InChIKeyYRKRIHVMCHWRAE-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-cyclopropyloxybenzene?
The IUPAC name of 4-bromo-1-chloro-2-cyclopropyloxybenzene (CID 58007571) is 4-bromo-1-chloro-2-cyclopropyloxybenzene.
What is the SMILES notation for 4-bromo-1-chloro-2-cyclopropyloxybenzene?
The canonical SMILES for 4-bromo-1-chloro-2-cyclopropyloxybenzene is Clc1ccc(Br)cc1OC1CC1.
What is the InChIKey of 4-bromo-1-chloro-2-cyclopropyloxybenzene?
The InChIKey is YRKRIHVMCHWRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c10-6-1-4-8(11)9(5-6)12-7-2-3-7/h1,4-5,7H,2-3H2.
What are the key properties of 4-bromo-1-chloro-2-cyclopropyloxybenzene?
4-bromo-1-chloro-2-cyclopropyloxybenzene has a molecular weight of 247.52 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-cyclopropyloxybenzene is sourced from PubChem (CID 58007571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).