1-cyclopropyl-4-methylbenzene;ethane;methane

C13H22 — CID 164862835

IUPAC1-cyclopropyl-4-methylbenzene;ethane;methane
SMILESC.CC.Cc1ccc(C2CC2)cc1
InChIInChI=1S/C10H12.C2H6.CH4/c1-8-2-4-9(5-3-8)10-6-7-10;1-2;/h2-5,10H,6-7H2,1H3;1-2H3;1H4
InChIKeyCLHIVCLVGOQGQE-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.53
Rot. Bonds1

About 1-cyclopropyl-4-methylbenzene;ethane;methane

1-cyclopropyl-4-methylbenzene;ethane;methane (PubChem CID 164862835) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-cyclopropyl-4-methylbenzene;ethane;methane.

Molecular Properties

Compound Name1-cyclopropyl-4-methylbenzene;ethane;methane
PubChem CID164862835
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-cyclopropyl-4-methylbenzene;ethane;methane
SMILESC.CC.Cc1ccc(C2CC2)cc1
InChIInChI=1S/C10H12.C2H6.CH4/c1-8-2-4-9(5-3-8)10-6-7-10;1-2;/h2-5,10H,6-7H2,1H3;1-2H3;1H4
InChIKeyCLHIVCLVGOQGQE-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939
ethane;4-(4-methylphenyl)piperidine
CID 145467036
ethane;methane;1-methyl-4-[[4-[[4-(4-methylcyclohexyl)phenyl]methyl]phenyl]methyl]benzene
CID 158300950
CID 59940181
CID 59940181
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
4-(4-methylphenyl)oxane
CID 46222621
ethane;1-methyl-4-[4-(4-methylcyclohexyl)oxycyclohexyl]benzene
CID 54304761
1-[[4-[4-[4-bis(4-methylphenyl)phosphorylphenyl]cyclohexyl]phenyl]-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 90141834
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methylbenzene;ethane;methane?
The IUPAC name of 1-cyclopropyl-4-methylbenzene;ethane;methane (CID 164862835) is 1-cyclopropyl-4-methylbenzene;ethane;methane.
What is the SMILES notation for 1-cyclopropyl-4-methylbenzene;ethane;methane?
The canonical SMILES for 1-cyclopropyl-4-methylbenzene;ethane;methane is C.CC.Cc1ccc(C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-4-methylbenzene;ethane;methane?
The InChIKey is CLHIVCLVGOQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C2H6.CH4/c1-8-2-4-9(5-3-8)10-6-7-10;1-2;/h2-5,10H,6-7H2,1H3;1-2H3;1H4.
What are the key properties of 1-cyclopropyl-4-methylbenzene;ethane;methane?
1-cyclopropyl-4-methylbenzene;ethane;methane has a molecular weight of 178.32 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methylbenzene;ethane;methane is sourced from PubChem (CID 164862835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).