1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene

C15H21BrO — CID 65001286

IUPAC1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
SMILESCCc1cccc(OCC2(CBr)CCCC2)c1
InChIInChI=1S/C15H21BrO/c1-2-13-6-5-7-14(10-13)17-12-15(11-16)8-3-4-9-15/h5-7,10H,2-4,8-9,11-12H2,1H3
InChIKeyFFZDGTQNWUMGHC-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.58
Rot. Bonds5

About 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene

1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene (PubChem CID 65001286) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
PubChem CID65001286
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene
SMILESCCc1cccc(OCC2(CBr)CCCC2)c1
InChIInChI=1S/C15H21BrO/c1-2-13-6-5-7-14(10-13)17-12-15(11-16)8-3-4-9-15/h5-7,10H,2-4,8-9,11-12H2,1H3
InChIKeyFFZDGTQNWUMGHC-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.58
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 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene (CID 65001286) is 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene is CCc1cccc(OCC2(CBr)CCCC2)c1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene?
The InChIKey is FFZDGTQNWUMGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-2-13-6-5-7-14(10-13)17-12-15(11-16)8-3-4-9-15/h5-7,10H,2-4,8-9,11-12H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene?
1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene has a molecular weight of 297.24 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methoxy]-3-ethylbenzene is sourced from PubChem (CID 65001286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).