4-bromo-2-(cyclohexylmethyl)-1-methylbenzene

C14H19Br — CID 126628314

IUPAC4-bromo-2-(cyclohexylmethyl)-1-methylbenzene
SMILESCc1ccc(Br)cc1CC1CCCCC1
InChIInChI=1S/C14H19Br/c1-11-7-8-14(15)10-13(11)9-12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3
InChIKeyWHMDJTHYKVJGAR-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.88
Rot. Bonds2

About 4-bromo-2-(cyclohexylmethyl)-1-methylbenzene

4-bromo-2-(cyclohexylmethyl)-1-methylbenzene (PubChem CID 126628314) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-bromo-2-(cyclohexylmethyl)-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-(cyclohexylmethyl)-1-methylbenzene
PubChem CID126628314
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name4-bromo-2-(cyclohexylmethyl)-1-methylbenzene
SMILESCc1ccc(Br)cc1CC1CCCCC1
InChIInChI=1S/C14H19Br/c1-11-7-8-14(15)10-13(11)9-12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3
InChIKeyWHMDJTHYKVJGAR-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclohexylmethyl)-1-methylbenzene?
The IUPAC name of 4-bromo-2-(cyclohexylmethyl)-1-methylbenzene (CID 126628314) is 4-bromo-2-(cyclohexylmethyl)-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-(cyclohexylmethyl)-1-methylbenzene?
The canonical SMILES for 4-bromo-2-(cyclohexylmethyl)-1-methylbenzene is Cc1ccc(Br)cc1CC1CCCCC1.
What is the InChIKey of 4-bromo-2-(cyclohexylmethyl)-1-methylbenzene?
The InChIKey is WHMDJTHYKVJGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-11-7-8-14(15)10-13(11)9-12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of 4-bromo-2-(cyclohexylmethyl)-1-methylbenzene?
4-bromo-2-(cyclohexylmethyl)-1-methylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclohexylmethyl)-1-methylbenzene is sourced from PubChem (CID 126628314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).