1-(3-bromocyclohexyl)-2,4-dimethylbenzene

C14H19Br — CID 64509176

IUPAC1-(3-bromocyclohexyl)-2,4-dimethylbenzene
SMILESCc1ccc(C2CCCC(Br)C2)c(C)c1
InChIInChI=1S/C14H19Br/c1-10-6-7-14(11(2)8-10)12-4-3-5-13(15)9-12/h6-8,12-13H,3-5,9H2,1-2H3
InChIKeyMCHDHMPMYABXEM-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.72
Rot. Bonds1

About 1-(3-bromocyclohexyl)-2,4-dimethylbenzene

1-(3-bromocyclohexyl)-2,4-dimethylbenzene (PubChem CID 64509176) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-(3-bromocyclohexyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(3-bromocyclohexyl)-2,4-dimethylbenzene
PubChem CID64509176
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-(3-bromocyclohexyl)-2,4-dimethylbenzene
SMILESCc1ccc(C2CCCC(Br)C2)c(C)c1
InChIInChI=1S/C14H19Br/c1-10-6-7-14(11(2)8-10)12-4-3-5-13(15)9-12/h6-8,12-13H,3-5,9H2,1-2H3
InChIKeyMCHDHMPMYABXEM-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromocyclohexyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(3-bromocyclohexyl)-2,4-dimethylbenzene (CID 64509176) is 1-(3-bromocyclohexyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(3-bromocyclohexyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(3-bromocyclohexyl)-2,4-dimethylbenzene is Cc1ccc(C2CCCC(Br)C2)c(C)c1.
What is the InChIKey of 1-(3-bromocyclohexyl)-2,4-dimethylbenzene?
The InChIKey is MCHDHMPMYABXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-10-6-7-14(11(2)8-10)12-4-3-5-13(15)9-12/h6-8,12-13H,3-5,9H2,1-2H3.
What are the key properties of 1-(3-bromocyclohexyl)-2,4-dimethylbenzene?
1-(3-bromocyclohexyl)-2,4-dimethylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromocyclohexyl)-2,4-dimethylbenzene is sourced from PubChem (CID 64509176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).