4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene

C16H23BrO2 — CID 107183641

IUPAC4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(CC(Br)C2CCCC2C)cc1OC
InChIInChI=1S/C16H23BrO2/c1-11-5-4-6-13(11)14(17)9-12-7-8-15(18-2)16(10-12)19-3/h7-8,10-11,13-14H,4-6,9H2,1-3H3
InChIKeyRAUSYCJCJSHHKY-UHFFFAOYSA-N
MW327.26 g/mol
LogP4.45
Rot. Bonds5

About 4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene

4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene (PubChem CID 107183641) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene
PubChem CID107183641
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(CC(Br)C2CCCC2C)cc1OC
InChIInChI=1S/C16H23BrO2/c1-11-5-4-6-13(11)14(17)9-12-7-8-15(18-2)16(10-12)19-3/h7-8,10-11,13-14H,4-6,9H2,1-3H3
InChIKeyRAUSYCJCJSHHKY-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.45
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-cyclopentylethyl)-1,2-dimethoxybenzene
CID 63017232
4-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183640
1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183721
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
(3,4-dimethoxyphenyl)methyl-[(1R,2R,3R)-2,3-dimethylcyclohexyl]azanium
CID 11920159
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 65046529
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107188012
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
9-[3-(3,4-dimethoxyphenyl)propyl]-9-borabicyclo[3.3.1]nonane
CID 14172418
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739847
(2S)-2-bromo-3-(3,4-dimethoxyphenyl)propanoic acid
CID 11077082

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene (CID 107183641) is 4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene is COc1ccc(CC(Br)C2CCCC2C)cc1OC.
What is the InChIKey of 4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene?
The InChIKey is RAUSYCJCJSHHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-11-5-4-6-13(11)14(17)9-12-7-8-15(18-2)16(10-12)19-3/h7-8,10-11,13-14H,4-6,9H2,1-3H3.
What are the key properties of 4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene?
4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene has a molecular weight of 327.26 g/mol, XLogP of 4.45, 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-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 107183641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).