1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene

C228H319ClF11NO17S — CID 159376693

IUPAC1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)Oc1ccc(C(C)C)cc1C#N.CC(C)c1ccc(C2(O)CCCC2)c(F)c1.CC(C)c1ccc(C2(O)CCCC2)cc1.CC(C)c1ccc(C2=CCCC2)c(F)c1.CC(C)c1ccc(S(=O)(=O)C2CC2)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1OC(F)(F)F.CCC(O)(CC)c1ccc(C(C)C)cc1C.CCCOc1ccc(C(C)C)cc1C.CCOc1ccc(C(C)C)cc1C.CCOc1cccc(C(C)C)c1.COc1cc(C(C)C)ccc1C(C)(C)C.COc1cc(C(C)C)ccc1OCCC(C)C.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C(F)(F)F.Cc1cc(C(C)C)ccc1C1(O)CCC1.Cc1cc(C(C)C)ccc1C1(O)CCCC1.Cc1cc(Cl)cc(C(C)C)c1
InChIInChI=1S/C15H24O2.C15H22O.C15H24O.C14H19FO.C14H17F.2C14H20O.C14H22O.C13H17NO.C13H20O.C12H16O2S.C12H18O.C11H13F3O.2C11H16O.C10H13Cl.C10H11F3O.C10H11F3/c1-11(2)8-9-17-14-7-6-13(12(3)4)10-15(14)16-5;1-11(2)13-6-7-14(12(3)10-13)15(16)8-4-5-9-15;1-6-15(16,7-2)14-9-8-13(11(3)4)10-12(14)5;1-10(2)11-5-6-12(13(15)9-11)14(16)7-3-4-8-14;1-10(2)12-7-8-13(14(15)9-12)11-5-3-4-6-11;1-10(2)12-5-6-13(11(3)9-12)14(15)7-4-8-14;1-11(2)12-5-7-13(8-6-12)14(15)9-3-4-10-14;1-10(2)11-7-8-12(14(3,4)5)13(9-11)15-6;1-9(2)11-5-6-13(15-10(3)4)12(7-11)8-14;1-5-8-14-13-7-6-12(10(2)3)9-11(13)4;1-9(2)10-3-5-11(6-4-10)15(13,14)12-7-8-12;1-5-13-12-7-6-11(9(2)3)8-10(12)4;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-8(2)10-5-6-11(12-4)9(3)7-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13/h6-7,10-12H,8-9H2,1-5H3;6-7,10-11,16H,4-5,8-9H2,1-3H3;8-11,16H,6-7H2,1-5H3;5-6,9-10,16H,3-4,7-8H2,1-2H3;5,7-10H,3-4,6H2,1-2H3;5-6,9-10,15H,4,7-8H2,1-3H3;5-8,11,15H,3-4,9-10H2,1-2H3;7-10H,1-6H3;5-7,9-10H,1-4H3;6-7,9-10H,5,8H2,1-4H3;3-6,9,12H,7-8H2,1-2H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyLKKDVZGZQAZBAW-UHFFFAOYSA-N
MW3622.55 g/mol
LogP66.78
Rot. Bonds46

About 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene

1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 159376693) has the molecular formula C228H319ClF11NO17S and a molecular weight of 3622.55 g/mol. Its IUPAC name is 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID159376693
Molecular FormulaC228H319ClF11NO17S
Molecular Weight3622.55 g/mol
Exact Mass3619.34
IUPAC Name1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)Oc1ccc(C(C)C)cc1C#N.CC(C)c1ccc(C2(O)CCCC2)c(F)c1.CC(C)c1ccc(C2(O)CCCC2)cc1.CC(C)c1ccc(C2=CCCC2)c(F)c1.CC(C)c1ccc(S(=O)(=O)C2CC2)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1OC(F)(F)F.CCC(O)(CC)c1ccc(C(C)C)cc1C.CCCOc1ccc(C(C)C)cc1C.CCOc1ccc(C(C)C)cc1C.CCOc1cccc(C(C)C)c1.COc1cc(C(C)C)ccc1C(C)(C)C.COc1cc(C(C)C)ccc1OCCC(C)C.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C(F)(F)F.Cc1cc(C(C)C)ccc1C1(O)CCC1.Cc1cc(C(C)C)ccc1C1(O)CCCC1.Cc1cc(Cl)cc(C(C)C)c1
InChIInChI=1S/C15H24O2.C15H22O.C15H24O.C14H19FO.C14H17F.2C14H20O.C14H22O.C13H17NO.C13H20O.C12H16O2S.C12H18O.C11H13F3O.2C11H16O.C10H13Cl.C10H11F3O.C10H11F3/c1-11(2)8-9-17-14-7-6-13(12(3)4)10-15(14)16-5;1-11(2)13-6-7-14(12(3)10-13)15(16)8-4-5-9-15;1-6-15(16,7-2)14-9-8-13(11(3)4)10-12(14)5;1-10(2)11-5-6-12(13(15)9-11)14(16)7-3-4-8-14;1-10(2)12-7-8-13(14(15)9-12)11-5-3-4-6-11;1-10(2)12-5-6-13(11(3)9-12)14(15)7-4-8-14;1-11(2)12-5-7-13(8-6-12)14(15)9-3-4-10-14;1-10(2)11-7-8-12(14(3,4)5)13(9-11)15-6;1-9(2)11-5-6-13(15-10(3)4)12(7-11)8-14;1-5-8-14-13-7-6-12(10(2)3)9-11(13)4;1-9(2)10-3-5-11(6-4-10)15(13,14)12-7-8-12;1-5-13-12-7-6-11(9(2)3)8-10(12)4;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-8(2)10-5-6-11(12-4)9(3)7-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13/h6-7,10-12H,8-9H2,1-5H3;6-7,10-11,16H,4-5,8-9H2,1-3H3;8-11,16H,6-7H2,1-5H3;5-6,9-10,16H,3-4,7-8H2,1-2H3;5,7-10H,3-4,6H2,1-2H3;5-6,9-10,15H,4,7-8H2,1-3H3;5-8,11,15H,3-4,9-10H2,1-2H3;7-10H,1-6H3;5-7,9-10H,1-4H3;6-7,9-10H,5,8H2,1-4H3;3-6,9,12H,7-8H2,1-2H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyLKKDVZGZQAZBAW-UHFFFAOYSA-N
XLogP66.78
TPSA251.38 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds46
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003622.55
LogP ≤ 566.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 159376693) is 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)Oc1ccc(C(C)C)cc1C#N.CC(C)c1ccc(C2(O)CCCC2)c(F)c1.CC(C)c1ccc(C2(O)CCCC2)cc1.CC(C)c1ccc(C2=CCCC2)c(F)c1.CC(C)c1ccc(S(=O)(=O)C2CC2)cc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1OC(F)(F)F.CCC(O)(CC)c1ccc(C(C)C)cc1C.CCCOc1ccc(C(C)C)cc1C.CCOc1ccc(C(C)C)cc1C.CCOc1cccc(C(C)C)c1.COc1cc(C(C)C)ccc1C(C)(C)C.COc1cc(C(C)C)ccc1OCCC(C)C.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C(F)(F)F.Cc1cc(C(C)C)ccc1C1(O)CCC1.Cc1cc(C(C)C)ccc1C1(O)CCCC1.Cc1cc(Cl)cc(C(C)C)c1.
What is the InChIKey of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is LKKDVZGZQAZBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2.C15H22O.C15H24O.C14H19FO.C14H17F.2C14H20O.C14H22O.C13H17NO.C13H20O.C12H16O2S.C12H18O.C11H13F3O.2C11H16O.C10H13Cl.C10H11F3O.C10H11F3/c1-11(2)8-9-17-14-7-6-13(12(3)4)10-15(14)16-5;1-11(2)13-6-7-14(12(3)10-13)15(16)8-4-5-9-15;1-6-15(16,7-2)14-9-8-13(11(3)4)10-12(14)5;1-10(2)11-5-6-12(13(15)9-11)14(16)7-3-4-8-14;1-10(2)12-7-8-13(14(15)9-12)11-5-3-4-6-11;1-10(2)12-5-6-13(11(3)9-12)14(15)7-4-8-14;1-11(2)12-5-7-13(8-6-12)14(15)9-3-4-10-14;1-10(2)11-7-8-12(14(3,4)5)13(9-11)15-6;1-9(2)11-5-6-13(15-10(3)4)12(7-11)8-14;1-5-8-14-13-7-6-12(10(2)3)9-11(13)4;1-9(2)10-3-5-11(6-4-10)15(13,14)12-7-8-12;1-5-13-12-7-6-11(9(2)3)8-10(12)4;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-8(2)10-5-6-11(12-4)9(3)7-10;1-4-12-11-7-5-6-10(8-11)9(2)3;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13/h6-7,10-12H,8-9H2,1-5H3;6-7,10-11,16H,4-5,8-9H2,1-3H3;8-11,16H,6-7H2,1-5H3;5-6,9-10,16H,3-4,7-8H2,1-2H3;5,7-10H,3-4,6H2,1-2H3;5-6,9-10,15H,4,7-8H2,1-3H3;5-8,11,15H,3-4,9-10H2,1-2H3;7-10H,1-6H3;5-7,9-10H,1-4H3;6-7,9-10H,5,8H2,1-4H3;3-6,9,12H,7-8H2,1-2H3;6-9H,5H2,1-4H3;4-7H,1-3H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-7H,1-3H3;3-7H,1-2H3;3-7H,1-2H3.
What are the key properties of 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 3622.55 g/mol, XLogP of 66.78, 46 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methoxy-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1-(cyclopenten-1-yl)-2-fluoro-4-propan-2-ylbenzene;1-cyclopropylsulfonyl-4-propan-2-ylbenzene;1-ethoxy-2-methyl-4-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclopentan-1-ol;2-methoxy-1-(3-methylbutoxy)-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methyl-4-propan-2-ylphenyl)cyclopentan-1-ol;3-(2-methyl-4-propan-2-ylphenyl)pentan-3-ol;2-methyl-4-propan-2-yl-1-propoxybenzene;1-(4-propan-2-ylphenyl)cyclopentan-1-ol;5-propan-2-yl-2-propan-2-yloxybenzonitrile;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 159376693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).