2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene

C15H20Br2O — CID 107723040

IUPAC2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene
SMILESCc1cc(OCC2(CBr)CCCC2)cc(C)c1Br
InChIInChI=1S/C15H20Br2O/c1-11-7-13(8-12(2)14(11)17)18-10-15(9-16)5-3-4-6-15/h7-8H,3-6,9-10H2,1-2H3
InChIKeyLEECXBARFVQKHT-UHFFFAOYSA-N
MW376.13 g/mol
LogP5.40
Rot. Bonds4

About 2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene

2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene (PubChem CID 107723040) has the molecular formula C15H20Br2O and a molecular weight of 376.13 g/mol. Its IUPAC name is 2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene
PubChem CID107723040
Molecular FormulaC15H20Br2O
Molecular Weight376.13 g/mol
Exact Mass373.99
IUPAC Name2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene
SMILESCc1cc(OCC2(CBr)CCCC2)cc(C)c1Br
InChIInChI=1S/C15H20Br2O/c1-11-7-13(8-12(2)14(11)17)18-10-15(9-16)5-3-4-6-15/h7-8H,3-6,9-10H2,1-2H3
InChIKeyLEECXBARFVQKHT-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.13
LogP ≤ 55.40
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 2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene?
The IUPAC name of 2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene (CID 107723040) is 2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene.
What is the SMILES notation for 2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene?
The canonical SMILES for 2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene is Cc1cc(OCC2(CBr)CCCC2)cc(C)c1Br.
What is the InChIKey of 2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene?
The InChIKey is LEECXBARFVQKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2O/c1-11-7-13(8-12(2)14(11)17)18-10-15(9-16)5-3-4-6-15/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene?
2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene has a molecular weight of 376.13 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[1-(bromomethyl)cyclopentyl]methoxy]-1,3-dimethylbenzene is sourced from PubChem (CID 107723040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).