1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene

C18H27Br — CID 55191885

IUPAC1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CC2CC(C(C)C)CCC2Br)c1
InChIInChI=1S/C18H27Br/c1-12(2)16-5-6-18(19)17(11-16)10-15-8-13(3)7-14(4)9-15/h7-9,12,16-18H,5-6,10-11H2,1-4H3
InChIKeyPRTORTIKARDSHU-UHFFFAOYSA-N
MW323.32 g/mol
LogP5.68
Rot. Bonds3

About 1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene

1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene (PubChem CID 55191885) has the molecular formula C18H27Br and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene
PubChem CID55191885
Molecular FormulaC18H27Br
Molecular Weight323.32 g/mol
Exact Mass322.13
IUPAC Name1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CC2CC(C(C)C)CCC2Br)c1
InChIInChI=1S/C18H27Br/c1-12(2)16-5-6-18(19)17(11-16)10-15-8-13(3)7-14(4)9-15/h7-9,12,16-18H,5-6,10-11H2,1-4H3
InChIKeyPRTORTIKARDSHU-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.32
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

1-[(2-bromo-5-tert-butylcyclohexyl)methyl]-3,5-dimethylbenzene
CID 63473186
1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene
CID 63471295
5-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-1,3-thiazole
CID 112643860
3-(2-bromo-5-propan-2-ylcyclohexyl)propylbenzene
CID 63473396
2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 104800079
1-bromo-2-(2-methylbutyl)-4-propan-2-ylcyclohexane
CID 63471498
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene
CID 63471293
2-bromo-1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-nitrobenzene
CID 63472821
2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 79703128
2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-chloro-1-nitrobenzene
CID 79556177
3-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-1-cyclopentylpyrazole
CID 64777285
2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81013130

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene (CID 55191885) is 1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene is Cc1cc(C)cc(CC2CC(C(C)C)CCC2Br)c1.
What is the InChIKey of 1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene?
The InChIKey is PRTORTIKARDSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Br/c1-12(2)16-5-6-18(19)17(11-16)10-15-8-13(3)7-14(4)9-15/h7-9,12,16-18H,5-6,10-11H2,1-4H3.
What are the key properties of 1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene?
1-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene has a molecular weight of 323.32 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-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-3,5-dimethylbenzene is sourced from PubChem (CID 55191885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).