1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol

C199H272F8O15S — CID 159558033

IUPAC1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol
SMILESC#Cc1cc(C(C)C)ccc1OC(C)C.CC(C)Cc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)c(S(C)(=O)=O)c1.CC(C)c1ccc(C2(O)CCC2)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OC(C)(F)F)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(F)(F)F.Cc1cc(C(C)C)ccc1-c1ccccc1.Cc1cc(C(C)C)ccc1C1(O)CCCC1
InChIInChI=1S/C16H18O.C16H18.C15H22O.C14H22O2.C14H22O.C14H18O.C13H20O2S.2C13H18O.C13H20.C12H16F2O.C12H17FO2.C12H16.C11H13F3O.C11H14F2O/c1-12(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;1-6-12-9-13(10(2)3)7-8-14(12)15-11(4)5;1-9(2)11-6-7-12(10(3)4)13(8-11)16(5,14)15;1-10(2)11-4-6-12(7-5-11)13(14)8-3-9-13;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;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-8(2)9-4-6-10(7-5-9)14-11(3,12)13/h4-12H,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;1,7-11H,2-5H3;6-10H,1-5H3;4-7,10,14H,3,8-9H2,1-2H3;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;4-7H,1-3H3;4-8H,1-3H3
InChIKeyMGFYQOIUFMOKRR-UHFFFAOYSA-N
MW3088.40 g/mol
LogP57.77
Rot. Bonds43

About 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol

1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol (PubChem CID 159558033) has the molecular formula C199H272F8O15S and a molecular weight of 3088.40 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol
PubChem CID159558033
Molecular FormulaC199H272F8O15S
Molecular Weight3088.40 g/mol
Exact Mass3086.01
IUPAC Name1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol
SMILESC#Cc1cc(C(C)C)ccc1OC(C)C.CC(C)Cc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)c(S(C)(=O)=O)c1.CC(C)c1ccc(C2(O)CCC2)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OC(C)(F)F)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(F)(F)F.Cc1cc(C(C)C)ccc1-c1ccccc1.Cc1cc(C(C)C)ccc1C1(O)CCCC1
InChIInChI=1S/C16H18O.C16H18.C15H22O.C14H22O2.C14H22O.C14H18O.C13H20O2S.2C13H18O.C13H20.C12H16F2O.C12H17FO2.C12H16.C11H13F3O.C11H14F2O/c1-12(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;1-6-12-9-13(10(2)3)7-8-14(12)15-11(4)5;1-9(2)11-6-7-12(10(3)4)13(8-11)16(5,14)15;1-10(2)11-4-6-12(7-5-11)13(14)8-3-9-13;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;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-8(2)9-4-6-10(7-5-9)14-11(3,12)13/h4-12H,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;1,7-11H,2-5H3;6-10H,1-5H3;4-7,10,14H,3,8-9H2,1-2H3;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;4-7H,1-3H3;4-8H,1-3H3
InChIKeyMGFYQOIUFMOKRR-UHFFFAOYSA-N
XLogP57.77
TPSA176.13 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds43
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003088.40
LogP ≤ 557.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol (CID 159558033) is 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol is C#Cc1cc(C(C)C)ccc1OC(C)C.CC(C)Cc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)c(S(C)(=O)=O)c1.CC(C)c1ccc(C2(O)CCC2)cc1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(OC(C)(F)F)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(F)(F)F.Cc1cc(C(C)C)ccc1-c1ccccc1.Cc1cc(C(C)C)ccc1C1(O)CCCC1.
What is the InChIKey of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol?
The InChIKey is MGFYQOIUFMOKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.C16H18.C15H22O.C14H22O2.C14H22O.C14H18O.C13H20O2S.2C13H18O.C13H20.C12H16F2O.C12H17FO2.C12H16.C11H13F3O.C11H14F2O/c1-12(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;1-6-12-9-13(10(2)3)7-8-14(12)15-11(4)5;1-9(2)11-6-7-12(10(3)4)13(8-11)16(5,14)15;1-10(2)11-4-6-12(7-5-11)13(14)8-3-9-13;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;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-8(2)9-4-6-10(7-5-9)14-11(3,12)13/h4-12H,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;1,7-11H,2-5H3;6-10H,1-5H3;4-7,10,14H,3,8-9H2,1-2H3;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;4-7H,1-3H3;4-8H,1-3H3.
What are the key properties of 1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol?
1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol has a molecular weight of 3088.40 g/mol, XLogP of 57.77, 43 rotatable bonds, 2 hydrogen bond donors, and 15 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-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoropropoxy)-4-propan-2-ylbenzene;1-(2,2-dimethylpropoxy)-4-propan-2-ylbenzene;2-ethynyl-4-propan-2-yl-1-propan-2-yloxybenzene;1-(1-fluoroethoxy)-2-methoxy-4-propan-2-ylbenzene;2-methoxy-1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-methoxy-2-phenyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;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-(4-propan-2-ylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 159558033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).