1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene

C23H36O — CID 70849692

IUPAC1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene
SMILESCCCC1CCC(COC2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C23H36O/c1-3-4-19-7-9-20(10-8-19)17-24-23-15-13-22(14-16-23)21-11-5-18(2)6-12-21/h5-6,11-12,19-20,22-23H,3-4,7-10,13-17H2,1-2H3
InChIKeySBRYCOQGTZVIQM-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.64
Rot. Bonds6

About 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene

1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene (PubChem CID 70849692) has the molecular formula C23H36O and a molecular weight of 328.54 g/mol. Its IUPAC name is 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene
PubChem CID70849692
Molecular FormulaC23H36O
Molecular Weight328.54 g/mol
Exact Mass328.28
IUPAC Name1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene
SMILESCCCC1CCC(COC2CCC(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C23H36O/c1-3-4-19-7-9-20(10-8-19)17-24-23-15-13-22(14-16-23)21-11-5-18(2)6-12-21/h5-6,11-12,19-20,22-23H,3-4,7-10,13-17H2,1-2H3
InChIKeySBRYCOQGTZVIQM-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene with MolForge

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Related Compounds

tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1,3-difluoro-5-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]-2-(trifluoromethyl)benzene
CID 54565948
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzonitrile
CID 19739052
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
[4-(4-propylcyclohexyl)phenyl] 4-methylbenzoate
CID 3093775
1-pentyl-4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739235

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene?
The IUPAC name of 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene (CID 70849692) is 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene.
What is the SMILES notation for 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene?
The canonical SMILES for 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene is CCCC1CCC(COC2CCC(c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene?
The InChIKey is SBRYCOQGTZVIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O/c1-3-4-19-7-9-20(10-8-19)17-24-23-15-13-22(14-16-23)21-11-5-18(2)6-12-21/h5-6,11-12,19-20,22-23H,3-4,7-10,13-17H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene?
1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene has a molecular weight of 328.54 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]benzene is sourced from PubChem (CID 70849692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).