1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene

C15H21Br — CID 116545938

IUPAC1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene
SMILESCCCc1cccc(C2CCC(Br)C2C)c1
InChIInChI=1S/C15H21Br/c1-3-5-12-6-4-7-13(10-12)14-8-9-15(16)11(14)2/h4,6-7,10-11,14-15H,3,5,8-9H2,1-2H3
InChIKeyZASZFPOAYZUGCP-UHFFFAOYSA-N
MW281.24 g/mol
LogP4.92
Rot. Bonds3

About 1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene

1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene (PubChem CID 116545938) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene
PubChem CID116545938
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene
SMILESCCCc1cccc(C2CCC(Br)C2C)c1
InChIInChI=1S/C15H21Br/c1-3-5-12-6-4-7-13(10-12)14-8-9-15(16)11(14)2/h4,6-7,10-11,14-15H,3,5,8-9H2,1-2H3
InChIKeyZASZFPOAYZUGCP-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 54.92
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-2-(3-propylphenyl)cycloheptane
CID 116545541
2-(3-propylphenyl)cyclobutan-1-amine
CID 116546379
4-ethyl-2-(3-propylphenyl)cyclohexane-1-carboxylic acid
CID 116546370
4-(3-bromo-2-methylcyclopentyl)-1,2-dichlorobenzene
CID 64909036
N-[[4-ethyl-2-(3-propylphenyl)cyclohexyl]methyl]ethanamine
CID 116546505
1-chloro-3-(3-propylphenyl)cycloheptane
CID 116545888
2-(3-propylphenyl)-2,3-dihydro-1H-indole
CID 116545623
4-(3-propylphenyl)-1,2,3,4-tetrahydroquinoline
CID 116545640
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975
1-(3-bromopropyl)-3-propylbenzene
CID 116545899
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
(3-bromo-2-methylcyclopentyl)methylbenzene
CID 64907307

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene?
The IUPAC name of 1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene (CID 116545938) is 1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene.
What is the SMILES notation for 1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene?
The canonical SMILES for 1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene is CCCc1cccc(C2CCC(Br)C2C)c1.
What is the InChIKey of 1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene?
The InChIKey is ZASZFPOAYZUGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br/c1-3-5-12-6-4-7-13(10-12)14-8-9-15(16)11(14)2/h4,6-7,10-11,14-15H,3,5,8-9H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene?
1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene has a molecular weight of 281.24 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylcyclopentyl)-3-propylbenzene is sourced from PubChem (CID 116545938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).