4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene

C15H21BrO2 — CID 63017232

IUPAC4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
SMILESCOc1ccc(CC(Br)C2CCCC2)cc1OC
InChIInChI=1S/C15H21BrO2/c1-17-14-8-7-11(10-15(14)18-2)9-13(16)12-5-3-4-6-12/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyFXDNLESJQCPLIJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.20
Rot. Bonds5

About 4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene

4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene (PubChem CID 63017232) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
PubChem CID63017232
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
SMILESCOc1ccc(CC(Br)C2CCCC2)cc1OC
InChIInChI=1S/C15H21BrO2/c1-17-14-8-7-11(10-15(14)18-2)9-13(16)12-5-3-4-6-12/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyFXDNLESJQCPLIJ-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183641
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
[1-bromo-2-(4-methoxyphenyl)ethyl]cyclooctane
CID 65020671
4-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183640
1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 63017637
4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene
CID 63543949
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
N-(2-bromo-2-cyclopropylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 114315916
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
4-[bromo(cyclobutyl)methyl]-1,2-dimethoxybenzene
CID 61085730
(2S)-2-bromo-3-(3,4-dimethoxyphenyl)propanoic acid
CID 11077082

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene?
The IUPAC name of 4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene (CID 63017232) is 4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene.
What is the SMILES notation for 4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene?
The canonical SMILES for 4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene is COc1ccc(CC(Br)C2CCCC2)cc1OC.
What is the InChIKey of 4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene?
The InChIKey is FXDNLESJQCPLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-17-14-8-7-11(10-15(14)18-2)9-13(16)12-5-3-4-6-12/h7-8,10,12-13H,3-6,9H2,1-2H3.
What are the key properties of 4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene?
4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene has a molecular weight of 313.24 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene is sourced from PubChem (CID 63017232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).