2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene

C201H288Cl2F7NO15S2 — CID 158635567

IUPAC2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene
SMILESCC(C)COc1ccc(C(C)C)cc1.CC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2(O)CCC2)c(F)c1.CC(C)c1ccc(COCC(F)(F)F)cc1.CC(C)c1ccc(COCCC(C)(F)F)cc1.CC(C)c1ccc(OCC2CC2)c(F)c1.CC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.CCC(C)(C)c1ccc(C(C)C)cc1.CCOc1ccc(C(C)C)cc1Cl.CCc1ccc(C(C)C)cc1C.COc1cc(C(C)C)ccc1C1(O)CCC1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1C1(O)CCC1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1Cl
InChIInChI=1S/C15H23NO2S.C14H20F2O.C14H20O2.C14H20O.C14H22.2C13H17FO.C13H20O2S.C13H20O.C12H15F3O.C12H18.C11H15ClO.2C11H16O.C11H16.C10H13Cl/c1-12(2)14-4-6-15(7-5-14)19(17,18)16-10-8-13(3)9-11-16;1-11(2)13-6-4-12(5-7-13)10-17-9-8-14(3,15)16;1-10(2)11-5-6-12(13(9-11)16-3)14(15)7-4-8-14;1-10(2)12-5-6-13(11(3)9-12)14(15)7-4-8-14;1-6-14(4,5)13-9-7-12(8-10-13)11(2)3;1-9(2)10-4-5-11(12(14)8-10)13(15)6-3-7-13;1-9(2)11-5-6-13(12(14)7-11)15-8-10-3-4-10;1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)11-5-3-10(4-6-11)7-16-8-12(13,14)15;1-5-11-6-7-12(9(2)3)8-10(11)4;1-4-13-11-6-5-9(8(2)3)7-10(11)12;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-5-4-8(3)10(11)6-9/h4-7,12-13H,8-11H2,1-3H3;4-7,11H,8-10H2,1-3H3;5-6,9-10,15H,4,7-8H2,1-3H3;5-6,9-10,15H,4,7-8H2,1-3H3;7-11H,6H2,1-5H3;4-5,8-9,15H,3,6-7H2,1-2H3;5-7,9-10H,3-4,8H2,1-2H3;5-8,10-11H,9H2,1-4H3;5-8,10-11H,9H2,1-4H3;3-6,9H,7-8H2,1-2H3;6-9H,5H2,1-4H3;5-8H,4H2,1-3H3;2*5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3
InChIKeyHZSODHSSKZJEPI-UHFFFAOYSA-N
MW3226.53 g/mol
LogP57.81
Rot. Bonds46

About 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene

2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene (PubChem CID 158635567) has the molecular formula C201H288Cl2F7NO15S2 and a molecular weight of 3226.53 g/mol. Its IUPAC name is 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene
PubChem CID158635567
Molecular FormulaC201H288Cl2F7NO15S2
Molecular Weight3226.53 g/mol
Exact Mass3223.05
IUPAC Name2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene
SMILESCC(C)COc1ccc(C(C)C)cc1.CC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2(O)CCC2)c(F)c1.CC(C)c1ccc(COCC(F)(F)F)cc1.CC(C)c1ccc(COCCC(C)(F)F)cc1.CC(C)c1ccc(OCC2CC2)c(F)c1.CC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.CCC(C)(C)c1ccc(C(C)C)cc1.CCOc1ccc(C(C)C)cc1Cl.CCc1ccc(C(C)C)cc1C.COc1cc(C(C)C)ccc1C1(O)CCC1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1C1(O)CCC1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1Cl
InChIInChI=1S/C15H23NO2S.C14H20F2O.C14H20O2.C14H20O.C14H22.2C13H17FO.C13H20O2S.C13H20O.C12H15F3O.C12H18.C11H15ClO.2C11H16O.C11H16.C10H13Cl/c1-12(2)14-4-6-15(7-5-14)19(17,18)16-10-8-13(3)9-11-16;1-11(2)13-6-4-12(5-7-13)10-17-9-8-14(3,15)16;1-10(2)11-5-6-12(13(9-11)16-3)14(15)7-4-8-14;1-10(2)12-5-6-13(11(3)9-12)14(15)7-4-8-14;1-6-14(4,5)13-9-7-12(8-10-13)11(2)3;1-9(2)10-4-5-11(12(14)8-10)13(15)6-3-7-13;1-9(2)11-5-6-13(12(14)7-11)15-8-10-3-4-10;1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)11-5-3-10(4-6-11)7-16-8-12(13,14)15;1-5-11-6-7-12(9(2)3)8-10(11)4;1-4-13-11-6-5-9(8(2)3)7-10(11)12;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-5-4-8(3)10(11)6-9/h4-7,12-13H,8-11H2,1-3H3;4-7,11H,8-10H2,1-3H3;5-6,9-10,15H,4,7-8H2,1-3H3;5-6,9-10,15H,4,7-8H2,1-3H3;7-11H,6H2,1-5H3;4-5,8-9,15H,3,6-7H2,1-2H3;5-7,9-10H,3-4,8H2,1-2H3;5-8,10-11H,9H2,1-4H3;5-8,10-11H,9H2,1-4H3;3-6,9H,7-8H2,1-2H3;6-9H,5H2,1-4H3;5-8H,4H2,1-3H3;2*5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3
InChIKeyHZSODHSSKZJEPI-UHFFFAOYSA-N
XLogP57.81
TPSA206.05 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds46
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003226.53
LogP ≤ 557.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene?
The IUPAC name of 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene (CID 158635567) is 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene.
What is the SMILES notation for 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene?
The canonical SMILES for 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene is CC(C)COc1ccc(C(C)C)cc1.CC(C)CS(=O)(=O)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2(O)CCC2)c(F)c1.CC(C)c1ccc(COCC(F)(F)F)cc1.CC(C)c1ccc(COCCC(C)(F)F)cc1.CC(C)c1ccc(OCC2CC2)c(F)c1.CC1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.CCC(C)(C)c1ccc(C(C)C)cc1.CCOc1ccc(C(C)C)cc1Cl.CCc1ccc(C(C)C)cc1C.COc1cc(C(C)C)ccc1C1(O)CCC1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(C(C)C)ccc1C1(O)CCC1.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1Cl.
What is the InChIKey of 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene?
The InChIKey is HZSODHSSKZJEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S.C14H20F2O.C14H20O2.C14H20O.C14H22.2C13H17FO.C13H20O2S.C13H20O.C12H15F3O.C12H18.C11H15ClO.2C11H16O.C11H16.C10H13Cl/c1-12(2)14-4-6-15(7-5-14)19(17,18)16-10-8-13(3)9-11-16;1-11(2)13-6-4-12(5-7-13)10-17-9-8-14(3,15)16;1-10(2)11-5-6-12(13(9-11)16-3)14(15)7-4-8-14;1-10(2)12-5-6-13(11(3)9-12)14(15)7-4-8-14;1-6-14(4,5)13-9-7-12(8-10-13)11(2)3;1-9(2)10-4-5-11(12(14)8-10)13(15)6-3-7-13;1-9(2)11-5-6-13(12(14)7-11)15-8-10-3-4-10;1-10(2)9-16(14,15)13-7-5-12(6-8-13)11(3)4;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)11-5-3-10(4-6-11)7-16-8-12(13,14)15;1-5-11-6-7-12(9(2)3)8-10(11)4;1-4-13-11-6-5-9(8(2)3)7-10(11)12;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)11-6-5-9(3)10(4)7-11;1-7(2)9-5-4-8(3)10(11)6-9/h4-7,12-13H,8-11H2,1-3H3;4-7,11H,8-10H2,1-3H3;5-6,9-10,15H,4,7-8H2,1-3H3;5-6,9-10,15H,4,7-8H2,1-3H3;7-11H,6H2,1-5H3;4-5,8-9,15H,3,6-7H2,1-2H3;5-7,9-10H,3-4,8H2,1-2H3;5-8,10-11H,9H2,1-4H3;5-8,10-11H,9H2,1-4H3;3-6,9H,7-8H2,1-2H3;6-9H,5H2,1-4H3;5-8H,4H2,1-3H3;2*5-8H,1-4H3;5-8H,1-4H3;4-7H,1-3H3.
What are the key properties of 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene?
2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene has a molecular weight of 3226.53 g/mol, XLogP of 57.81, 46 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethoxy-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;1-(cyclopropylmethoxy)-2-fluoro-4-propan-2-ylbenzene;1-(3,3-difluorobutoxymethyl)-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1-ethyl-2-methyl-4-propan-2-ylbenzene;1-(2-fluoro-4-propan-2-ylphenyl)cyclobutan-1-ol;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-(2-methoxy-4-propan-2-ylphenyl)cyclobutan-1-ol;1-(2-methylbutan-2-yl)-4-propan-2-ylbenzene;1-(2-methyl-4-propan-2-ylphenyl)cyclobutan-1-ol;4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine;1-(2-methylpropoxy)-4-propan-2-ylbenzene;1-(2-methylpropylsulfonyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(2,2,2-trifluoroethoxymethyl)benzene is sourced from PubChem (CID 158635567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).