4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene

C11H11Br2ClO — CID 65013710

IUPAC4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene
SMILESClc1ccc(Br)cc1OCC1(CBr)CC1
InChIInChI=1S/C11H11Br2ClO/c12-6-11(3-4-11)7-15-10-5-8(13)1-2-9(10)14/h1-2,5H,3-4,6-7H2
InChIKeyRNBZEHDLCJKGKZ-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.66
Rot. Bonds4

About 4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene

4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene (PubChem CID 65013710) has the molecular formula C11H11Br2ClO and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene.

Molecular Properties

Compound Name4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene
PubChem CID65013710
Molecular FormulaC11H11Br2ClO
Molecular Weight354.47 g/mol
Exact Mass351.89
IUPAC Name4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene
SMILESClc1ccc(Br)cc1OCC1(CBr)CC1
InChIInChI=1S/C11H11Br2ClO/c12-6-11(3-4-11)7-15-10-5-8(13)1-2-9(10)14/h1-2,5H,3-4,6-7H2
InChIKeyRNBZEHDLCJKGKZ-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene?
The IUPAC name of 4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene (CID 65013710) is 4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene.
What is the SMILES notation for 4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene?
The canonical SMILES for 4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene is Clc1ccc(Br)cc1OCC1(CBr)CC1.
What is the InChIKey of 4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene?
The InChIKey is RNBZEHDLCJKGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2ClO/c12-6-11(3-4-11)7-15-10-5-8(13)1-2-9(10)14/h1-2,5H,3-4,6-7H2.
What are the key properties of 4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene?
4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene has a molecular weight of 354.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene is sourced from PubChem (CID 65013710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).