1-(4,4-dimethylcyclohexyl)-4-methoxybenzene

C15H22O — CID 18414650

IUPAC1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
SMILESCOc1ccc(C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C15H22O/c1-15(2)10-8-13(9-11-15)12-4-6-14(16-3)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyAMFTWNOEVOHPSN-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.38
Rot. Bonds2

About 1-(4,4-dimethylcyclohexyl)-4-methoxybenzene

1-(4,4-dimethylcyclohexyl)-4-methoxybenzene (PubChem CID 18414650) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
PubChem CID18414650
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
SMILESCOc1ccc(C2CCC(C)(C)CC2)cc1
InChIInChI=1S/C15H22O/c1-15(2)10-8-13(9-11-15)12-4-6-14(16-3)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyAMFTWNOEVOHPSN-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-methoxybenzene?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-methoxybenzene (CID 18414650) is 1-(4,4-dimethylcyclohexyl)-4-methoxybenzene.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-4-methoxybenzene?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-4-methoxybenzene is COc1ccc(C2CCC(C)(C)CC2)cc1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-4-methoxybenzene?
The InChIKey is AMFTWNOEVOHPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-15(2)10-8-13(9-11-15)12-4-6-14(16-3)7-5-12/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-4-methoxybenzene?
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene has a molecular weight of 218.34 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-4-methoxybenzene is sourced from PubChem (CID 18414650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).