2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene

C11H12Br2O — CID 126974013

IUPAC2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene
SMILESCc1ccc(OC2(CBr)CC2)c(Br)c1
InChIInChI=1S/C11H12Br2O/c1-8-2-3-10(9(13)6-8)14-11(7-12)4-5-11/h2-3,6H,4-5,7H2,1H3
InChIKeyQWEJQNNEGHIKSW-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.06
Rot. Bonds3

About 2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene

2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene (PubChem CID 126974013) has the molecular formula C11H12Br2O and a molecular weight of 320.02 g/mol. Its IUPAC name is 2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene
PubChem CID126974013
Molecular FormulaC11H12Br2O
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene
SMILESCc1ccc(OC2(CBr)CC2)c(Br)c1
InChIInChI=1S/C11H12Br2O/c1-8-2-3-10(9(13)6-8)14-11(7-12)4-5-11/h2-3,6H,4-5,7H2,1H3
InChIKeyQWEJQNNEGHIKSW-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene
CID 126974003
2-bromo-1-(4,4-difluorocyclohexyl)oxy-4-methylbenzene
CID 135227009
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433
2-bromo-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene
CID 117058856
2-bromo-1-(3-bromo-2,2-dimethylpropoxy)-4-methylbenzene
CID 64995276
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378
2-bromo-1-(3-bromo-2-methylpropoxy)-4-methylbenzene
CID 64996070
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
2-bromo-1-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-4-methylbenzene
CID 66345947

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene?
The IUPAC name of 2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene (CID 126974013) is 2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene?
The canonical SMILES for 2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene is Cc1ccc(OC2(CBr)CC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene?
The InChIKey is QWEJQNNEGHIKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O/c1-8-2-3-10(9(13)6-8)14-11(7-12)4-5-11/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene?
2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene has a molecular weight of 320.02 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene is sourced from PubChem (CID 126974013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).