1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene

C16H23Br — CID 107182321

IUPAC1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(Br)C2CCCC2C)cc1
InChIInChI=1S/C16H23Br/c1-11(2)13-7-9-14(10-8-13)16(17)15-6-4-5-12(15)3/h7-12,15-16H,4-6H2,1-3H3
InChIKeyOPXGKCCQQYZEJK-UHFFFAOYSA-N
MW295.26 g/mol
LogP5.68
Rot. Bonds3

About 1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene

1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene (PubChem CID 107182321) has the molecular formula C16H23Br and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene
PubChem CID107182321
Molecular FormulaC16H23Br
Molecular Weight295.26 g/mol
Exact Mass294.10
IUPAC Name1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C(Br)C2CCCC2C)cc1
InChIInChI=1S/C16H23Br/c1-11(2)13-7-9-14(10-8-13)16(17)15-6-4-5-12(15)3/h7-12,15-16H,4-6H2,1-3H3
InChIKeyOPXGKCCQQYZEJK-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.26
LogP ≤ 55.68
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-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene
CID 107182232
2-[bromo-(2-methylcyclopentyl)methyl]-6-methoxynaphthalene
CID 107182341
N-methyl-1-(2-methylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 107188350
N-(2,6-dimethylcyclohexyl)-4-propan-2-ylaniline
CID 43110755
2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane
CID 61098410
[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol
CID 107181587
1-[bromo-(2-methylcyclopentyl)methyl]-2,4-dimethylbenzene
CID 107182184
6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 107182391
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
2-[bromo-(2-methylcyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 107182621
cis-(1R,2S)-1-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopentane
CID 163236440

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene (CID 107182321) is 1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene is CC(C)c1ccc(C(Br)C2CCCC2C)cc1.
What is the InChIKey of 1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene?
The InChIKey is OPXGKCCQQYZEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br/c1-11(2)13-7-9-14(10-8-13)16(17)15-6-4-5-12(15)3/h7-12,15-16H,4-6H2,1-3H3.
What are the key properties of 1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene?
1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene has a molecular weight of 295.26 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-methylcyclopentyl)methyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 107182321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).