1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene

C14H18Br2 — CID 107183721

IUPAC1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
SMILESCC1CCCC1C(Br)Cc1cccc(Br)c1
InChIInChI=1S/C14H18Br2/c1-10-4-2-7-13(10)14(16)9-11-5-3-6-12(15)8-11/h3,5-6,8,10,13-14H,2,4,7,9H2,1H3
InChIKeyWAQQULFMLMNSRY-UHFFFAOYSA-N
MW346.11 g/mol
LogP5.19
Rot. Bonds3

About 1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene

1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene (PubChem CID 107183721) has the molecular formula C14H18Br2 and a molecular weight of 346.11 g/mol. Its IUPAC name is 1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
PubChem CID107183721
Molecular FormulaC14H18Br2
Molecular Weight346.11 g/mol
Exact Mass343.98
IUPAC Name1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
SMILESCC1CCCC1C(Br)Cc1cccc(Br)c1
InChIInChI=1S/C14H18Br2/c1-10-4-2-7-13(10)14(16)9-11-5-3-6-12(15)8-11/h3,5-6,8,10,13-14H,2,4,7,9H2,1H3
InChIKeyWAQQULFMLMNSRY-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.11
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183607
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183641
1-bromo-3-[2-bromo-2-(2,2-dimethylcyclopropyl)ethyl]benzene
CID 107003144
1-bromo-3-[2-bromo-2-(2,2,3,3-tetramethylcyclopropyl)ethyl]benzene
CID 66478431
3-[1-bromo-2-(3-bromophenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159640
2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63414740
1-bromo-4-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183537
3-(3-bromophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 127122318
2-(3-bromophenyl)-1-(3,4-dimethylcyclohexyl)ethanol
CID 64738018
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
CID 63411098

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene?
The IUPAC name of 1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene (CID 107183721) is 1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene?
The canonical SMILES for 1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene is CC1CCCC1C(Br)Cc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene?
The InChIKey is WAQQULFMLMNSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2/c1-10-4-2-7-13(10)14(16)9-11-5-3-6-12(15)8-11/h3,5-6,8,10,13-14H,2,4,7,9H2,1H3.
What are the key properties of 1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene?
1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene has a molecular weight of 346.11 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene is sourced from PubChem (CID 107183721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).