1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene

C177H250F3NO14S2 — CID 158525149

About 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene

1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene (PubChem CID 158525149) has the molecular formula C177H250F3NO14S2 and a molecular weight of 2737.07 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene.

Molecular Properties

• Compound Name: 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene
• PubChem CID: 158525149
• Molecular Formula: C177H250F3NO14S2
• Molecular Weight: 2737.07 g/mol
• Exact Mass: 2734.83
• IUPAC Name: 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene
• SMILES: CC(C)Cc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)c(S(C)(=O)=O)c1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OCC(C)(C)C)cc1.CC(C)c1ccc(OCC(C)(F)F)cc1.CC(C)c1ccc(OCC2CC2)cc1.COc1cc(C(C)C)ccc1OC(C)(C)C.COc1cc(C(C)C)ccc1OC(C)F.COc1ccc(C(C)C)cc1-c1ccccc1.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1-c1ccccc1.Cc1cc(C(C)C)ccc1C1(O)CCCC1.Cc1cc(C(C)C)ccc1S(=O)(=O)N1CCC(C)CC1
• InChI: InChI=1S/C16H25NO2S.C16H18O.C16H18.C15H22O.C14H22O2.C14H22O.C13H20O2S.C13H18O.C13H20.C12H16F2O.C12H17FO2.C12H16.C11H16O/c1-12(2)15-5-6-16(14(4)11-15)20(18,19)17-9-7-13(3)8-10-17;1-12(2)14-9-10-16(17-3)15(11-14)13-7-5-4-6-8-13;1-12(2)15-9-10-16(13(3)11-15)14-7-5-4-6-8-14;1-11(2)13-6-7-14(12(3)10-13)15(16)8-4-5-9-15;1-10(2)11-7-8-12(13(9-11)15-6)16-14(3,4)5;1-11(2)12-6-8-13(9-7-12)15-10-14(3,4)5;1-9(2)11-6-7-12(10(3)4)13(8-11)16(5,14)15;1-10(2)12-5-7-13(8-6-12)14-9-11-3-4-11;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)10-4-6-11(7-5-10)15-8-12(3,13)14;1-8(2)10-5-6-11(15-9(3)13)12(7-10)14-4;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-5-6-11(12-4)9(3)7-10/h5-6,11-13H,7-10H2,1-4H3;4-12H,1-3H3;4-12H,1-3H3;6-7,10-11,16H,4-5,8-9H2,1-3H3;7-10H,1-6H3;6-9,11H,10H2,1-5H3;6-10H,1-5H3;5-8,10-11H,3-4,9H2,1-2H3;5-8,10-11H,9H2,1-4H3;4-7,9H,8H2,1-3H3;5-9H,1-4H3;3-6,9,12H,7-8H2,1-2H3;5-8H,1-4H3
• InChIKey: HMRUOZKETMZVAH-UHFFFAOYSA-N
• XLogP: 50.04
• TPSA: 174.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 38
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2737.07
LogP ≤ 5	50.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene?

The IUPAC name of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene (CID 158525149) is 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene.

What is the SMILES notation for 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene?

The canonical SMILES for 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene is CC(C)Cc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)c(S(C)(=O)=O)c1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OCC(C)(C)C)cc1.CC(C)c1ccc(OCC(C)(F)F)cc1.CC(C)c1ccc(OCC2CC2)cc1.COc1cc(C(C)C)ccc1OC(C)(C)C.COc1cc(C(C)C)ccc1OC(C)F.COc1ccc(C(C)C)cc1-c1ccccc1.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1-c1ccccc1.Cc1cc(C(C)C)ccc1C1(O)CCCC1.Cc1cc(C(C)C)ccc1S(=O)(=O)N1CCC(C)CC1.

What is the InChIKey of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene?

The InChIKey is HMRUOZKETMZVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S.C16H18O.C16H18.C15H22O.C14H22O2.C14H22O.C13H20O2S.C13H18O.C13H20.C12H16F2O.C12H17FO2.C12H16.C11H16O/c1-12(2)15-5-6-16(14(4)11-15)20(18,19)17-9-7-13(3)8-10-17;1-12(2)14-9-10-16(17-3)15(11-14)13-7-5-4-6-8-13;1-12(2)15-9-10-16(13(3)11-15)14-7-5-4-6-8-14;1-11(2)13-6-7-14(12(3)10-13)15(16)8-4-5-9-15;1-10(2)11-7-8-12(13(9-11)15-6)16-14(3,4)5;1-11(2)12-6-8-13(9-7-12)15-10-14(3,4)5;1-9(2)11-6-7-12(10(3)4)13(8-11)16(5,14)15;1-10(2)12-5-7-13(8-6-12)14-9-11-3-4-11;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)10-4-6-11(7-5-10)15-8-12(3,13)14;1-8(2)10-5-6-11(15-9(3)13)12(7-10)14-4;1-9(2)10-3-5-11(6-4-10)12-7-8-12;1-8(2)10-5-6-11(12-4)9(3)7-10/h5-6,11-13H,7-10H2,1-4H3;4-12H,1-3H3;4-12H,1-3H3;6-7,10-11,16H,4-5,8-9H2,1-3H3;7-10H,1-6H3;6-9,11H,10H2,1-5H3;6-10H,1-5H3;5-8,10-11H,3-4,9H2,1-2H3;5-8,10-11H,9H2,1-4H3;4-7,9H,8H2,1-3H3;5-9H,1-4H3;3-6,9,12H,7-8H2,1-2H3;5-8H,1-4H3.

What are the key properties of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene?

1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene has a molecular weight of 2737.07 g/mol, XLogP of 50.04, 38 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;4-methyl-1-(2-methyl-4-propan-2-ylphenyl)sulfonylpiperidine;2-methyl-1-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;1-(2-methylpropyl)-4-propan-2-ylbenzene;2-methylsulfonyl-1,4-di(propan-2-yl)benzene is sourced from PubChem (CID 158525149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).