1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene

C120H171F2NO10S2 — CID 158803380

About 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene

1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene (PubChem CID 158803380) has the molecular formula C120H171F2NO10S2 and a molecular weight of 1889.81 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene.

Molecular Properties

• Compound Name: 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene
• PubChem CID: 158803380
• Molecular Formula: C120H171F2NO10S2
• Molecular Weight: 1889.81 g/mol
• Exact Mass: 1888.23
• IUPAC Name: 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene
• SMILES: C=S(C)(=O)c1cc(C(C)C)ccc1C(C)C.CC(C)COc1ccc(C(C)C)cc1.CC(C)c1ccc(OCC(C)(F)F)cc1.CC(C)c1ccc(OCC2CC2)cc1.CC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.COc1ccc(C(C)C)cc1-c1ccccc1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1C1(O)CCCC1
• InChI: InChI=1S/C16H18O.C15H23NO2S.C15H22O.C14H22OS.C13H18O.C13H20O.C12H16F2O.2C11H16O/c1-12(2)14-9-10-16(17-3)15(11-14)13-7-5-4-6-8-13;1-12(2)14-4-6-15(7-5-14)19(17,18)16-10-8-13(3)9-11-16;1-11(2)13-6-7-14(12(3)10-13)15(16)8-4-5-9-15;1-10(2)12-7-8-13(11(3)4)14(9-12)16(5,6)15;1-10(2)12-5-7-13(8-6-12)14-9-11-3-4-11;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)10-4-6-11(7-5-10)15-8-12(3,13)14;2*1-8(2)10-5-6-11(12-4)9(3)7-10/h4-12H,1-3H3;4-7,12-13H,8-11H2,1-3H3;6-7,10-11,16H,4-5,8-9H2,1-3H3;7-11H,5H2,1-4,6H3;5-8,10-11H,3-4,9H2,1-2H3;5-8,10-11H,9H2,1-4H3;4-7,9H,8H2,1-3H3;2*5-8H,1-4H3
• InChIKey: ITTQTNRKSYDWFQ-UHFFFAOYSA-N
• XLogP: 32.78
• TPSA: 130.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1889.81
LogP ≤ 5	32.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene?

The IUPAC name of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene (CID 158803380) is 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene.

What is the SMILES notation for 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene?

The canonical SMILES for 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene is C=S(C)(=O)c1cc(C(C)C)ccc1C(C)C.CC(C)COc1ccc(C(C)C)cc1.CC(C)c1ccc(OCC(C)(F)F)cc1.CC(C)c1ccc(OCC2CC2)cc1.CC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.COc1ccc(C(C)C)cc1-c1ccccc1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1C1(O)CCCC1.

What is the InChIKey of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene?

The InChIKey is ITTQTNRKSYDWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C15H23NO2S.C15H22O.C14H22OS.C13H18O.C13H20O.C12H16F2O.2C11H16O/c1-12(2)14-9-10-16(17-3)15(11-14)13-7-5-4-6-8-13;1-12(2)14-4-6-15(7-5-14)19(17,18)16-10-8-13(3)9-11-16;1-11(2)13-6-7-14(12(3)10-13)15(16)8-4-5-9-15;1-10(2)12-7-8-13(11(3)4)14(9-12)16(5,6)15;1-10(2)12-5-7-13(8-6-12)14-9-11-3-4-11;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)10-4-6-11(7-5-10)15-8-12(3,13)14;2*1-8(2)10-5-6-11(12-4)9(3)7-10/h4-12H,1-3H3;4-7,12-13H,8-11H2,1-3H3;6-7,10-11,16H,4-5,8-9H2,1-3H3;7-11H,5H2,1-4,6H3;5-8,10-11H,3-4,9H2,1-2H3;5-8,10-11H,9H2,1-4H3;4-7,9H,8H2,1-3H3;2*5-8H,1-4H3.

What are the key properties of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene?

1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene has a molecular weight of 1889.81 g/mol, XLogP of 32.78, 27 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;[2,5-di(propan-2-yl)phenyl]-methyl-methylidene-oxo-λ6-sulfane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene is sourced from PubChem (CID 158803380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).