2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene

C14H19BrO — CID 165489430

IUPAC2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene
SMILESBrCC1(OCCc2ccccc2)CCCC1
InChIInChI=1S/C14H19BrO/c15-12-14(9-4-5-10-14)16-11-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2
InChIKeyHHZCVWGKHGUXBS-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.95
Rot. Bonds5

About 2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene

2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene (PubChem CID 165489430) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene.

Molecular Properties

Compound Name2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene
PubChem CID165489430
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene
SMILESBrCC1(OCCc2ccccc2)CCCC1
InChIInChI=1S/C14H19BrO/c15-12-14(9-4-5-10-14)16-11-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2
InChIKeyHHZCVWGKHGUXBS-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.95
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-[1-(bromomethyl)cyclopentyl]oxyethylbenzene?
The IUPAC name of 2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene (CID 165489430) is 2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene.
What is the SMILES notation for 2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene?
The canonical SMILES for 2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene is BrCC1(OCCc2ccccc2)CCCC1.
What is the InChIKey of 2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene?
The InChIKey is HHZCVWGKHGUXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c15-12-14(9-4-5-10-14)16-11-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2.
What are the key properties of 2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene?
2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene has a molecular weight of 283.21 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(bromomethyl)cyclopentyl]oxyethylbenzene is sourced from PubChem (CID 165489430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).