4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C186H246ClF15N6O7S — CID 161191052

IUPAC4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC.CC(C)c1cc(F)ccc1OC(F)(F)F.CC(C)c1ccc(F)cn1.CC(C)c1ccc2cnccc2n1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2c1CN=C2.COc1ccc(C(C)(C)C)cc1C(C)C.COc1ccc(C(C)C)c(C)c1.COc1ccc(S(N)(=O)=O)cc1C(C)C.COc1ccccc1C(C)C.Cc1c(C(C)C)cc(F)c(F)c1Cl.Cc1c(F)cccc1C(C)C.Cc1c(F)cccc1C(C)C.Cc1cc(C#N)ccc1C(C)C.Cc1ccc(C(C)(F)F)c(C(C)C)c1.Cc1ccc(C(C)C)c(C(C)(F)F)c1.Cc1ccc(C(C)C)c(C)c1F.Cc1ccc(C)c(C(C)C)c1F
InChIInChI=1S/C14H22O.C13H18.2C12H16F2.2C11H15F.C11H12N2.2C11H13N.C11H16O.C10H11ClF2.C10H10F4O.2C10H13F.C10H15NO3S.C10H14O.C8H10FN.CH4/c1-10(2)12-9-11(14(3,4)5)7-8-13(12)15-6;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-7-9(3)5-6-11(10)12(4,13)14;1-8(2)10-6-5-9(3)7-11(10)12(4,13)14;1-7(2)10-6-5-8(3)11(12)9(10)4;1-7(2)10-8(3)5-6-9(4)11(10)12;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)11-5-4-10(7-12)6-9(11)3;1-8(2)11-6-5-10(12-4)7-9(11)3;1-5(2)7-4-8(12)10(13)9(11)6(7)3;1-6(2)8-5-7(11)3-4-9(8)15-10(12,13)14;2*1-7(2)9-5-4-6-10(11)8(9)3;1-7(2)9-6-8(15(11,12)13)4-5-10(9)14-3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)8-4-3-7(9)5-10-8;/h7-10H,1-6H3;5,7,9-10H,3-4,6,8H2,1-2H3;2*5-8H,1-4H3;2*5-7H,1-4H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;4-6,8H,1-3H3;5-8H,1-4H3;4-5H,1-3H3;3-6H,1-2H3;2*4-7H,1-3H3;4-7H,1-3H3,(H2,11,12,13);4-8H,1-3H3;3-6H,1-2H3;1H4
InChIKeyUTSODXBVIFIQAT-UHFFFAOYSA-N
MW3030.54 g/mol
LogP56.69
Rot. Bonds25

About 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene

4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 161191052) has the molecular formula C186H246ClF15N6O7S and a molecular weight of 3030.54 g/mol. Its IUPAC name is 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID161191052
Molecular FormulaC186H246ClF15N6O7S
Molecular Weight3030.54 g/mol
Exact Mass3027.82
IUPAC Name4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC.CC(C)c1cc(F)ccc1OC(F)(F)F.CC(C)c1ccc(F)cn1.CC(C)c1ccc2cnccc2n1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2c1CN=C2.COc1ccc(C(C)(C)C)cc1C(C)C.COc1ccc(C(C)C)c(C)c1.COc1ccc(S(N)(=O)=O)cc1C(C)C.COc1ccccc1C(C)C.Cc1c(C(C)C)cc(F)c(F)c1Cl.Cc1c(F)cccc1C(C)C.Cc1c(F)cccc1C(C)C.Cc1cc(C#N)ccc1C(C)C.Cc1ccc(C(C)(F)F)c(C(C)C)c1.Cc1ccc(C(C)C)c(C(C)(F)F)c1.Cc1ccc(C(C)C)c(C)c1F.Cc1ccc(C)c(C(C)C)c1F
InChIInChI=1S/C14H22O.C13H18.2C12H16F2.2C11H15F.C11H12N2.2C11H13N.C11H16O.C10H11ClF2.C10H10F4O.2C10H13F.C10H15NO3S.C10H14O.C8H10FN.CH4/c1-10(2)12-9-11(14(3,4)5)7-8-13(12)15-6;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-7-9(3)5-6-11(10)12(4,13)14;1-8(2)10-6-5-9(3)7-11(10)12(4,13)14;1-7(2)10-6-5-8(3)11(12)9(10)4;1-7(2)10-8(3)5-6-9(4)11(10)12;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)11-5-4-10(7-12)6-9(11)3;1-8(2)11-6-5-10(12-4)7-9(11)3;1-5(2)7-4-8(12)10(13)9(11)6(7)3;1-6(2)8-5-7(11)3-4-9(8)15-10(12,13)14;2*1-7(2)9-5-4-6-10(11)8(9)3;1-7(2)9-6-8(15(11,12)13)4-5-10(9)14-3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)8-4-3-7(9)5-10-8;/h7-10H,1-6H3;5,7,9-10H,3-4,6,8H2,1-2H3;2*5-8H,1-4H3;2*5-7H,1-4H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;4-6,8H,1-3H3;5-8H,1-4H3;4-5H,1-3H3;3-6H,1-2H3;2*4-7H,1-3H3;4-7H,1-3H3,(H2,11,12,13);4-8H,1-3H3;3-6H,1-2H3;1H4
InChIKeyUTSODXBVIFIQAT-UHFFFAOYSA-N
XLogP56.69
TPSA181.13 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003030.54
LogP ≤ 556.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 161191052) is 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene is C.CC(C)c1cc(F)ccc1OC(F)(F)F.CC(C)c1ccc(F)cn1.CC(C)c1ccc2cnccc2n1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2c1CN=C2.COc1ccc(C(C)(C)C)cc1C(C)C.COc1ccc(C(C)C)c(C)c1.COc1ccc(S(N)(=O)=O)cc1C(C)C.COc1ccccc1C(C)C.Cc1c(C(C)C)cc(F)c(F)c1Cl.Cc1c(F)cccc1C(C)C.Cc1c(F)cccc1C(C)C.Cc1cc(C#N)ccc1C(C)C.Cc1ccc(C(C)(F)F)c(C(C)C)c1.Cc1ccc(C(C)C)c(C(C)(F)F)c1.Cc1ccc(C(C)C)c(C)c1F.Cc1ccc(C)c(C(C)C)c1F.
What is the InChIKey of 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UTSODXBVIFIQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C13H18.2C12H16F2.2C11H15F.C11H12N2.2C11H13N.C11H16O.C10H11ClF2.C10H10F4O.2C10H13F.C10H15NO3S.C10H14O.C8H10FN.CH4/c1-10(2)12-9-11(14(3,4)5)7-8-13(12)15-6;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)10-7-9(3)5-6-11(10)12(4,13)14;1-8(2)10-6-5-9(3)7-11(10)12(4,13)14;1-7(2)10-6-5-8(3)11(12)9(10)4;1-7(2)10-8(3)5-6-9(4)11(10)12;1-8(2)10-4-3-9-7-12-6-5-11(9)13-10;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)11-5-4-10(7-12)6-9(11)3;1-8(2)11-6-5-10(12-4)7-9(11)3;1-5(2)7-4-8(12)10(13)9(11)6(7)3;1-6(2)8-5-7(11)3-4-9(8)15-10(12,13)14;2*1-7(2)9-5-4-6-10(11)8(9)3;1-7(2)9-6-8(15(11,12)13)4-5-10(9)14-3;1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)8-4-3-7(9)5-10-8;/h7-10H,1-6H3;5,7,9-10H,3-4,6,8H2,1-2H3;2*5-8H,1-4H3;2*5-7H,1-4H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;4-6,8H,1-3H3;5-8H,1-4H3;4-5H,1-3H3;3-6H,1-2H3;2*4-7H,1-3H3;4-7H,1-3H3,(H2,11,12,13);4-8H,1-3H3;3-6H,1-2H3;1H4.
What are the key properties of 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 3030.54 g/mol, XLogP of 56.69, 25 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;bis(1-fluoro-2-methyl-3-propan-2-ylbenzene);5-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzenesulfonamide;3-methyl-4-propan-2-ylbenzonitrile;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 161191052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).