1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene

C154H207F8NO3 — CID 158605183

IUPAC1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CCC(F)(F)CC2)cc1.CC(C)c1ccc(C2CCCC2(C)C)cc1.CC(C)c1ccc(C2CCCC2)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(OC2CCCCC2)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.Cc1cc(C(C)C)ccc1C(F)(F)F.Cc1cc(C(C)C)ccc1Oc1ccccc1
InChIInChI=1S/C16H18O.C16H24.C15H20F2.C15H22O.C15H16O.C15H22.C14H21N.C14H20.C13H20.C11H13F3.C10H11F3/c1-12(2)14-9-10-16(13(3)11-14)17-15-7-5-4-6-8-15;1-12(2)13-7-9-14(10-8-13)15-6-5-11-16(15,3)4;1-11(2)12-3-5-13(6-4-12)14-7-9-15(16,17)10-8-14;2*1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-11(2)12-7-9-14(10-8-12)13-5-3-4-6-13;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-7(2)9-4-5-10(8(3)6-9)11(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13/h4-12H,1-3H3;7-10,12,15H,5-6,11H2,1-4H3;3-6,11,14H,7-10H2,1-2H3;8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;8-12,14H,3-7H2,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;7-11,13H,3-6H2,1-2H3;6-10H,1-5H3;4-7H,1-3H3;3-7H,1-2H3
InChIKeyHWDBIFHITOEKPG-UHFFFAOYSA-N
MW2272.34 g/mol
LogP49.44
Rot. Bonds22

About 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene

1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 158605183) has the molecular formula C154H207F8NO3 and a molecular weight of 2272.34 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID158605183
Molecular FormulaC154H207F8NO3
Molecular Weight2272.34 g/mol
Exact Mass2270.59
IUPAC Name1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CCC(F)(F)CC2)cc1.CC(C)c1ccc(C2CCCC2(C)C)cc1.CC(C)c1ccc(C2CCCC2)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(OC2CCCCC2)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.Cc1cc(C(C)C)ccc1C(F)(F)F.Cc1cc(C(C)C)ccc1Oc1ccccc1
InChIInChI=1S/C16H18O.C16H24.C15H20F2.C15H22O.C15H16O.C15H22.C14H21N.C14H20.C13H20.C11H13F3.C10H11F3/c1-12(2)14-9-10-16(13(3)11-14)17-15-7-5-4-6-8-15;1-12(2)13-7-9-14(10-8-13)15-6-5-11-16(15,3)4;1-11(2)12-3-5-13(6-4-12)14-7-9-15(16,17)10-8-14;2*1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-11(2)12-7-9-14(10-8-12)13-5-3-4-6-13;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-7(2)9-4-5-10(8(3)6-9)11(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13/h4-12H,1-3H3;7-10,12,15H,5-6,11H2,1-4H3;3-6,11,14H,7-10H2,1-2H3;8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;8-12,14H,3-7H2,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;7-11,13H,3-6H2,1-2H3;6-10H,1-5H3;4-7H,1-3H3;3-7H,1-2H3
InChIKeyHWDBIFHITOEKPG-UHFFFAOYSA-N
XLogP49.44
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002272.34
LogP ≤ 549.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

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CID 23574003
1-[4-[10,18-Difluoro-5-(4-fluorophenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaen-5-yl]phenyl]piperidine
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1-[4-[18-Fluoro-5-(4-fluorophenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-5-yl]phenyl]piperidine
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1-[5-(4-Butoxyphenyl)-5-(4-fluorophenyl)-21,21-dimethyl-10-(trifluoromethyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaen-17-yl]piperazine
CID 58299237

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 158605183) is 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(C2CCC(F)(F)CC2)cc1.CC(C)c1ccc(C2CCCC2(C)C)cc1.CC(C)c1ccc(C2CCCC2)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(OC2CCCCC2)cc1.CC(C)c1ccc(Oc2ccccc2)cc1.Cc1cc(C(C)C)ccc1C(F)(F)F.Cc1cc(C(C)C)ccc1Oc1ccccc1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is HWDBIFHITOEKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C16H24.C15H20F2.C15H22O.C15H16O.C15H22.C14H21N.C14H20.C13H20.C11H13F3.C10H11F3/c1-12(2)14-9-10-16(13(3)11-14)17-15-7-5-4-6-8-15;1-12(2)13-7-9-14(10-8-13)15-6-5-11-16(15,3)4;1-11(2)12-3-5-13(6-4-12)14-7-9-15(16,17)10-8-14;2*1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-11(2)12-7-9-14(10-8-12)13-5-3-4-6-13;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-7(2)9-4-5-10(8(3)6-9)11(12,13)14;1-7(2)8-3-5-9(6-4-8)10(11,12)13/h4-12H,1-3H3;7-10,12,15H,5-6,11H2,1-4H3;3-6,11,14H,7-10H2,1-2H3;8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;8-12,14H,3-7H2,1-2H3;6-9,12H,3-5,10-11H2,1-2H3;7-11,13H,3-6H2,1-2H3;6-10H,1-5H3;4-7H,1-3H3;3-7H,1-2H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene?
1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 2272.34 g/mol, XLogP of 49.44, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyloxy-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1-cyclopentyl-4-propan-2-ylbenzene;1-(4,4-difluorocyclohexyl)-4-propan-2-ylbenzene;1-(2,2-dimethylcyclopentyl)-4-propan-2-ylbenzene;2-methyl-1-phenoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-1-(trifluoromethyl)benzene;1-phenoxy-4-propan-2-ylbenzene;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158605183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).