2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene

C14H19Br — CID 116540790

IUPAC2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C2(C)CCC(Br)C2)c1
InChIInChI=1S/C14H19Br/c1-10-4-5-11(2)13(8-10)14(3)7-6-12(15)9-14/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyLVVDEUZNGOYPJP-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.51
Rot. Bonds1

About 2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene

2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene (PubChem CID 116540790) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene
PubChem CID116540790
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C2(C)CCC(Br)C2)c1
InChIInChI=1S/C14H19Br/c1-10-4-5-11(2)13(8-10)14(3)7-6-12(15)9-14/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyLVVDEUZNGOYPJP-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.51
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-(3-bromo-1-methylcyclopentyl)-2,4,5-trimethylbenzene
CID 116540535
1-(3-bromo-1-methylcyclopentyl)-2-chlorobenzene
CID 116540616
2-(3-chloro-1-methylcyclopentyl)-4-fluoro-1-methylbenzene
CID 116540187
3-bromo-4-(3-bromo-1-methylcyclopentyl)thiophene
CID 116540743
5-(3-bromo-1-methylcyclopentyl)-2-methylpyridine
CID 116540617
2-[2-(chloromethyl)-1-methylcyclopropyl]-1,4-dimethylbenzene
CID 81358320
1-(2,5-dimethylphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79863052
4-(3-bromo-1-methylcyclopentyl)isoquinoline
CID 116540727
4-[(3-bromo-1-methylcyclopentyl)methyl]-1,2-dimethylbenzene
CID 116540815
2-(3-bromo-1-methylcyclopentyl)-5-chlorothiophene
CID 116540633
4-(2,5-dimethylphenyl)-4,5-dimethylpyrrolidin-2-one
CID 66107823
1-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 55187341

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene (CID 116540790) is 2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene is Cc1ccc(C)c(C2(C)CCC(Br)C2)c1.
What is the InChIKey of 2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene?
The InChIKey is LVVDEUZNGOYPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-10-4-5-11(2)13(8-10)14(3)7-6-12(15)9-14/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of 2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene?
2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylcyclopentyl)-1,4-dimethylbenzene is sourced from PubChem (CID 116540790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).