1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C22H34 — CID 143444546

IUPAC1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cccc(C)c3)CC2)CC1
InChIInChI=1S/C22H34/c1-3-5-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-7-4-6-17(2)16-22/h4,6-7,16,18-21H,3,5,8-15H2,1-2H3
InChIKeyVMOVDABOACUXBD-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.88
Rot. Bonds4

About 1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 143444546) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID143444546
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3cccc(C)c3)CC2)CC1
InChIInChI=1S/C22H34/c1-3-5-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-7-4-6-17(2)16-22/h4,6-7,16,18-21H,3,5,8-15H2,1-2H3
InChIKeyVMOVDABOACUXBD-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-propylcyclohexyl)benzene
CID 155887669
1,2,3-trimethyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20683489
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
cyclohexylcyclohexane;1-cyclohexyl-3-methylbenzene;ethane;iodoethane
CID 123173892
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
1-(4-ethylsulfonylcyclohexyl)-3-methylbenzene
CID 142555021
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 139850129

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 143444546) is 1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3cccc(C)c3)CC2)CC1.
What is the InChIKey of 1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is VMOVDABOACUXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-3-5-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-7-4-6-17(2)16-22/h4,6-7,16,18-21H,3,5,8-15H2,1-2H3.
What are the key properties of 1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 298.51 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 143444546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).