(2-bromo-2-cyclopentyloxyethoxy)benzene

C13H17BrO2 — CID 66824854

IUPAC(2-bromo-2-cyclopentyloxyethoxy)benzene
SMILESBrC(COc1ccccc1)OC1CCCC1
InChIInChI=1S/C13H17BrO2/c14-13(16-12-8-4-5-9-12)10-15-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKeyDPVWJTRJECWFPG-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.75
Rot. Bonds5

About (2-bromo-2-cyclopentyloxyethoxy)benzene

(2-bromo-2-cyclopentyloxyethoxy)benzene (PubChem CID 66824854) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is (2-bromo-2-cyclopentyloxyethoxy)benzene.

Molecular Properties

Compound Name(2-bromo-2-cyclopentyloxyethoxy)benzene
PubChem CID66824854
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name(2-bromo-2-cyclopentyloxyethoxy)benzene
SMILESBrC(COc1ccccc1)OC1CCCC1
InChIInChI=1S/C13H17BrO2/c14-13(16-12-8-4-5-9-12)10-15-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKeyDPVWJTRJECWFPG-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-2-cyclopentyloxyethoxy)benzene?
The IUPAC name of (2-bromo-2-cyclopentyloxyethoxy)benzene (CID 66824854) is (2-bromo-2-cyclopentyloxyethoxy)benzene.
What is the SMILES notation for (2-bromo-2-cyclopentyloxyethoxy)benzene?
The canonical SMILES for (2-bromo-2-cyclopentyloxyethoxy)benzene is BrC(COc1ccccc1)OC1CCCC1.
What is the InChIKey of (2-bromo-2-cyclopentyloxyethoxy)benzene?
The InChIKey is DPVWJTRJECWFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c14-13(16-12-8-4-5-9-12)10-15-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2.
What are the key properties of (2-bromo-2-cyclopentyloxyethoxy)benzene?
(2-bromo-2-cyclopentyloxyethoxy)benzene has a molecular weight of 285.18 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-2-cyclopentyloxyethoxy)benzene is sourced from PubChem (CID 66824854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).