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

C14H19Br — CID 64910350

IUPAC4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene
SMILESCc1ccc(C2CCC(Br)C2C)cc1C
InChIInChI=1S/C14H19Br/c1-9-4-5-12(8-10(9)2)13-6-7-14(15)11(13)3/h4-5,8,11,13-14H,6-7H2,1-3H3
InChIKeyRPTDYYQWTWHNFC-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.58
Rot. Bonds1

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

4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene (PubChem CID 64910350) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene
PubChem CID64910350
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene
SMILESCc1ccc(C2CCC(Br)C2C)cc1C
InChIInChI=1S/C14H19Br/c1-9-4-5-12(8-10(9)2)13-6-7-14(15)11(13)3/h4-5,8,11,13-14H,6-7H2,1-3H3
InChIKeyRPTDYYQWTWHNFC-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
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

4-(3-bromo-2-methylcyclopentyl)-1,2-dichlorobenzene
CID 64909036
4-(2-bromocyclopentyl)-1,2-dimethylbenzene
CID 63511139
1-(3-bromo-2-methylcyclopentyl)-3-fluoro-5-methylbenzene
CID 79704912
1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene
CID 116545938
2-(3,4-dimethylphenyl)cyclopentan-1-ol
CID 2758610
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
2-(3-bromo-2-methylcyclopentyl)-1-fluoro-4-methylbenzene
CID 64909694
3-(3,4-dimethylphenyl)-N-ethyl-2-methylcyclobutan-1-amine
CID 81417795
(1R)-1-[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]ethanol
CID 95002894
(2S)-2-(3,4-dimethylphenyl)oxirane
CID 40580634
3-(3,4-dimethylphenyl)-2-phenylpyrrolidine
CID 62718437
2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 146154687

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene (CID 64910350) is 4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene is Cc1ccc(C2CCC(Br)C2C)cc1C.
What is the InChIKey of 4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene?
The InChIKey is RPTDYYQWTWHNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-9-4-5-12(8-10(9)2)13-6-7-14(15)11(13)3/h4-5,8,11,13-14H,6-7H2,1-3H3.
What are the key properties of 4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene?
4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-methylcyclopentyl)-1,2-dimethylbenzene is sourced from PubChem (CID 64910350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).