1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene

C15H21BrO2 — CID 104662885

IUPAC1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccccc1C1CCC(Br)C1C
InChIInChI=1S/C15H21BrO2/c1-11-12(7-8-14(11)16)13-5-3-4-6-15(13)18-10-9-17-2/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyMIZFSGXYSBCTJM-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.99
Rot. Bonds5

About 1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene

1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene (PubChem CID 104662885) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene
PubChem CID104662885
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccccc1C1CCC(Br)C1C
InChIInChI=1S/C15H21BrO2/c1-11-12(7-8-14(11)16)13-5-3-4-6-15(13)18-10-9-17-2/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyMIZFSGXYSBCTJM-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 104662423
2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine
CID 104662480
1-bromo-3-[2-(2-methoxyethoxy)phenyl]cycloheptane
CID 113438552
4-[2-(2-methoxyethoxy)phenyl]piperidine;hydrochloride
CID 163359265
N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine
CID 104662798
[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine
CID 104663423
2-[2-(2-methoxyethoxy)phenyl]piperidine
CID 104662497
N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
CID 104663479
bis[2-(2-methoxyethoxy)phenyl]iodanium
CID 139829734
2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid
CID 104663378
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
trans-(1R,2S)-2-[2-(methoxymethoxy)phenyl]cyclohexan-1-ol
CID 54125386

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene?
The IUPAC name of 1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene (CID 104662885) is 1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene.
What is the SMILES notation for 1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene?
The canonical SMILES for 1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene is COCCOc1ccccc1C1CCC(Br)C1C.
What is the InChIKey of 1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene?
The InChIKey is MIZFSGXYSBCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-11-12(7-8-14(11)16)13-5-3-4-6-15(13)18-10-9-17-2/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene?
1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene has a molecular weight of 313.24 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene is sourced from PubChem (CID 104662885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).