1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene

C14H19Br — CID 126696164

IUPAC1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene
SMILESCc1ccccc1C1CCC(CBr)CC1
InChIInChI=1S/C14H19Br/c1-11-4-2-3-5-14(11)13-8-6-12(10-15)7-9-13/h2-5,12-13H,6-10H2,1H3
InChIKeyLPCNBOVBOXYNKF-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.66
Rot. Bonds2

About 1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene

1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene (PubChem CID 126696164) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene
PubChem CID126696164
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene
SMILESCc1ccccc1C1CCC(CBr)CC1
InChIInChI=1S/C14H19Br/c1-11-4-2-3-5-14(11)13-8-6-12(10-15)7-9-13/h2-5,12-13H,6-10H2,1H3
InChIKeyLPCNBOVBOXYNKF-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.66
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-[4-(bromomethyl)cyclohexyl]-2-methylbenzene?
The IUPAC name of 1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene (CID 126696164) is 1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene.
What is the SMILES notation for 1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene?
The canonical SMILES for 1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene is Cc1ccccc1C1CCC(CBr)CC1.
What is the InChIKey of 1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene?
The InChIKey is LPCNBOVBOXYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-11-4-2-3-5-14(11)13-8-6-12(10-15)7-9-13/h2-5,12-13H,6-10H2,1H3.
What are the key properties of 1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene?
1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)cyclohexyl]-2-methylbenzene is sourced from PubChem (CID 126696164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).