1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene

C15H21BrO — CID 64910125

IUPAC1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(C2CCC(Br)C2C)cc1
InChIInChI=1S/C15H21BrO/c1-10(2)17-13-6-4-12(5-7-13)14-8-9-15(16)11(14)3/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyMYRYSHGDESADPB-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.75
Rot. Bonds3

About 1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene

1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene (PubChem CID 64910125) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene
PubChem CID64910125
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(C2CCC(Br)C2C)cc1
InChIInChI=1S/C15H21BrO/c1-10(2)17-13-6-4-12(5-7-13)14-8-9-15(16)11(14)3/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyMYRYSHGDESADPB-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
CID 94605675
2-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 21190507
(2R)-2-(4-propan-2-yloxyphenyl)oxirane
CID 30071232
2-phenyl-3-(4-propan-2-yloxyphenyl)pyrrolidine
CID 62718142
N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 116962676
[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate
CID 57192072
2,2-diethyl-3-(4-propan-2-yloxyphenyl)cyclobutan-1-one
CID 81415345
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66109178
5-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 15817594
4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-dioxolane
CID 70936320
[4,4-dimethyl-2-(4-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81012063

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene?
The IUPAC name of 1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene (CID 64910125) is 1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene?
The canonical SMILES for 1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene is CC(C)Oc1ccc(C2CCC(Br)C2C)cc1.
What is the InChIKey of 1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene?
The InChIKey is MYRYSHGDESADPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-10(2)17-13-6-4-12(5-7-13)14-8-9-15(16)11(14)3/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene?
1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene has a molecular weight of 297.24 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylcyclopentyl)-4-propan-2-yloxybenzene is sourced from PubChem (CID 64910125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).