1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole

C144H201N5O2 — CID 158957815

IUPAC1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole
SMILESC.C.C.C.C.C.C.CC(C)c1cccc(-c2cc[nH]c2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(C2CCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCN(C)CC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H16O.C15H22.2C15H16.C14H22N2.C14H15N.C13H19NO.C13H15N.C13H18.C10H14.7CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;3*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-5-4-6-14(11-13)16-9-7-15(3)8-10-16;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)12-7-4-8-13(9-12)11-5-3-6-11;1-8(2)10-6-4-5-9(3)7-10;;;;;;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;2*3-12H,1-2H3;4-6,11-12H,7-10H2,1-3H3;3-11H,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-10,14H,1-2H3;4,7-11H,3,5-6H2,1-2H3;4-8H,1-3H3;7*1H4
InChIKeyJMFROVOHSRFLSG-UHFFFAOYSA-N
MW2034.22 g/mol
LogP42.95
Rot. Bonds20

About 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole

1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole (PubChem CID 158957815) has the molecular formula C144H201N5O2 and a molecular weight of 2034.22 g/mol. Its IUPAC name is 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole.

Molecular Properties

Compound Name1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole
PubChem CID158957815
Molecular FormulaC144H201N5O2
Molecular Weight2034.22 g/mol
Exact Mass2032.58
IUPAC Name1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole
SMILESC.C.C.C.C.C.C.CC(C)c1cccc(-c2cc[nH]c2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(C2CCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCN(C)CC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C15H16O.C15H22.2C15H16.C14H22N2.C14H15N.C13H19NO.C13H15N.C13H18.C10H14.7CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;3*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-5-4-6-14(11-13)16-9-7-15(3)8-10-16;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)12-7-4-8-13(9-12)11-5-3-6-11;1-8(2)10-6-4-5-9(3)7-10;;;;;;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;2*3-12H,1-2H3;4-6,11-12H,7-10H2,1-3H3;3-11H,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-10,14H,1-2H3;4,7-11H,3,5-6H2,1-2H3;4-8H,1-3H3;7*1H4
InChIKeyJMFROVOHSRFLSG-UHFFFAOYSA-N
XLogP42.95
TPSA56.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002034.22
LogP ≤ 542.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole?
The IUPAC name of 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole (CID 158957815) is 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole.
What is the SMILES notation for 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole?
The canonical SMILES for 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole is C.C.C.C.C.C.C.CC(C)c1cccc(-c2cc[nH]c2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(C2CCC2)c1.CC(C)c1cccc(C2CCCCC2)c1.CC(C)c1cccc(N2CCN(C)CC2)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(Oc2ccccc2)c1.Cc1cccc(C(C)C)c1.
What is the InChIKey of 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole?
The InChIKey is JMFROVOHSRFLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C15H22.2C15H16.C14H22N2.C14H15N.C13H19NO.C13H15N.C13H18.C10H14.7CH4/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14;3*1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-5-4-6-14(11-13)16-9-7-15(3)8-10-16;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)12-7-4-8-13(9-12)11-5-3-6-11;1-8(2)10-6-4-5-9(3)7-10;;;;;;;/h3-12H,1-2H3;6,9-13H,3-5,7-8H2,1-2H3;2*3-12H,1-2H3;4-6,11-12H,7-10H2,1-3H3;3-11H,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-10,14H,1-2H3;4,7-11H,3,5-6H2,1-2H3;4-8H,1-3H3;7*1H4.
What are the key properties of 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole?
1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole has a molecular weight of 2034.22 g/mol, XLogP of 42.95, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-propan-2-ylbenzene;1-cyclohexyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)piperazine;1-phenoxy-3-propan-2-ylbenzene;bis(1-phenyl-3-propan-2-ylbenzene);4-(3-propan-2-ylphenyl)morpholine;2-(3-propan-2-ylphenyl)pyridine;3-(3-propan-2-ylphenyl)-1H-pyrrole is sourced from PubChem (CID 158957815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).