1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene

C220H280F10N2O8S — CID 158483140

IUPAC1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)c(OC)cc1C.Cc1cc(C(=O)O)cc(C(C)C)c1.Cc1cc(C(F)(F)F)c(C(C)C)cc1C(F)(F)F.Cc1cc(C)c(C(C)C)cc1C.Cc1cc(C=O)cc(C(C)C)c1.Cc1cc(F)c(C(C)C)cc1F.Cc1cc(F)cc(C(C)C)c1.Cc1cc(N)cc(C(C)C)c1.Cc1cc(O)cc(C(C)C)c1.Cc1cc2ccc1CCc1ccc(c(C(C)C)c1)CC2.Cc1ccc(Cc2ccc(C(C)C)cc2)cc1.Cc1ccc(F)cc1C(C)C.Cc1ccc(Oc2ccc(C(C)C)cc2C)c(C)c1.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2oc3ccc(C(C)C)cc3c2c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cscc1C(C)C
InChIInChI=1S/C20H24.C18H22O.C17H20.C16H16O.C14H16.C12H12F6.C12H18O2.C12H18.C11H14O2.C11H14O.C10H12F2.2C10H13F.C10H15N.C10H14O.C10H14.C9H13N.C8H12S/c1-14(2)20-13-17-5-9-18-8-4-16(12-15(18)3)6-10-19(20)11-7-17;1-12(2)16-7-9-18(15(5)11-16)19-17-8-6-13(3)10-14(17)4;1-13(2)17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;1-10(2)12-5-7-16-14(9-12)13-8-11(3)4-6-15(13)17-16;1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-6(2)8-5-9(11(13,14)15)7(3)4-10(8)12(16,17)18;1-8(2)10-7-11(13-4)9(3)6-12(10)14-5;1-8(2)12-7-10(4)9(3)6-11(12)5;1-7(2)9-4-8(3)5-10(6-9)11(12)13;1-8(2)11-5-9(3)4-10(6-11)7-12;1-6(2)8-5-9(11)7(3)4-10(8)12;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)10-6-9(11)5-4-8(10)3;2*1-7(2)9-4-8(3)5-10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9;1-6(2)8-5-9-4-7(8)3/h4,7-8,11-14H,5-6,9-10H2,1-3H3;6-12H,1-5H3;4-11,13H,12H2,1-3H3;4-10H,1-3H3;4-10H,1-3H3;4-6H,1-3H3;6-8H,1-5H3;6-8H,1-5H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H,11H2,1-3H3;4-7,11H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3
InChIKeyHHTRFMDBYNCJTF-UHFFFAOYSA-N
MW3302.71 g/mol
LogP66.55
Rot. Bonds26

About 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene

1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene (PubChem CID 158483140) has the molecular formula C220H280F10N2O8S and a molecular weight of 3302.71 g/mol. Its IUPAC name is 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene
PubChem CID158483140
Molecular FormulaC220H280F10N2O8S
Molecular Weight3302.71 g/mol
Exact Mass3300.11
IUPAC Name1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)c(OC)cc1C.Cc1cc(C(=O)O)cc(C(C)C)c1.Cc1cc(C(F)(F)F)c(C(C)C)cc1C(F)(F)F.Cc1cc(C)c(C(C)C)cc1C.Cc1cc(C=O)cc(C(C)C)c1.Cc1cc(F)c(C(C)C)cc1F.Cc1cc(F)cc(C(C)C)c1.Cc1cc(N)cc(C(C)C)c1.Cc1cc(O)cc(C(C)C)c1.Cc1cc2ccc1CCc1ccc(c(C(C)C)c1)CC2.Cc1ccc(Cc2ccc(C(C)C)cc2)cc1.Cc1ccc(F)cc1C(C)C.Cc1ccc(Oc2ccc(C(C)C)cc2C)c(C)c1.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2oc3ccc(C(C)C)cc3c2c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cscc1C(C)C
InChIInChI=1S/C20H24.C18H22O.C17H20.C16H16O.C14H16.C12H12F6.C12H18O2.C12H18.C11H14O2.C11H14O.C10H12F2.2C10H13F.C10H15N.C10H14O.C10H14.C9H13N.C8H12S/c1-14(2)20-13-17-5-9-18-8-4-16(12-15(18)3)6-10-19(20)11-7-17;1-12(2)16-7-9-18(15(5)11-16)19-17-8-6-13(3)10-14(17)4;1-13(2)17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;1-10(2)12-5-7-16-14(9-12)13-8-11(3)4-6-15(13)17-16;1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-6(2)8-5-9(11(13,14)15)7(3)4-10(8)12(16,17)18;1-8(2)10-7-11(13-4)9(3)6-12(10)14-5;1-8(2)12-7-10(4)9(3)6-11(12)5;1-7(2)9-4-8(3)5-10(6-9)11(12)13;1-8(2)11-5-9(3)4-10(6-11)7-12;1-6(2)8-5-9(11)7(3)4-10(8)12;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)10-6-9(11)5-4-8(10)3;2*1-7(2)9-4-8(3)5-10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9;1-6(2)8-5-9-4-7(8)3/h4,7-8,11-14H,5-6,9-10H2,1-3H3;6-12H,1-5H3;4-11,13H,12H2,1-3H3;4-10H,1-3H3;4-10H,1-3H3;4-6H,1-3H3;6-8H,1-5H3;6-8H,1-5H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H,11H2,1-3H3;4-7,11H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3
InChIKeyHHTRFMDBYNCJTF-UHFFFAOYSA-N
XLogP66.55
TPSA154.34 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms241
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003302.71
LogP ≤ 566.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene?
The IUPAC name of 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene (CID 158483140) is 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene?
The canonical SMILES for 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene is COc1cc(C(C)C)c(OC)cc1C.Cc1cc(C(=O)O)cc(C(C)C)c1.Cc1cc(C(F)(F)F)c(C(C)C)cc1C(F)(F)F.Cc1cc(C)c(C(C)C)cc1C.Cc1cc(C=O)cc(C(C)C)c1.Cc1cc(F)c(C(C)C)cc1F.Cc1cc(F)cc(C(C)C)c1.Cc1cc(N)cc(C(C)C)c1.Cc1cc(O)cc(C(C)C)c1.Cc1cc2ccc1CCc1ccc(c(C(C)C)c1)CC2.Cc1ccc(Cc2ccc(C(C)C)cc2)cc1.Cc1ccc(F)cc1C(C)C.Cc1ccc(Oc2ccc(C(C)C)cc2C)c(C)c1.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2oc3ccc(C(C)C)cc3c2c1.Cc1cccc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cscc1C(C)C.
What is the InChIKey of 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene?
The InChIKey is HHTRFMDBYNCJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24.C18H22O.C17H20.C16H16O.C14H16.C12H12F6.C12H18O2.C12H18.C11H14O2.C11H14O.C10H12F2.2C10H13F.C10H15N.C10H14O.C10H14.C9H13N.C8H12S/c1-14(2)20-13-17-5-9-18-8-4-16(12-15(18)3)6-10-19(20)11-7-17;1-12(2)16-7-9-18(15(5)11-16)19-17-8-6-13(3)10-14(17)4;1-13(2)17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;1-10(2)12-5-7-16-14(9-12)13-8-11(3)4-6-15(13)17-16;1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12;1-6(2)8-5-9(11(13,14)15)7(3)4-10(8)12(16,17)18;1-8(2)10-7-11(13-4)9(3)6-12(10)14-5;1-8(2)12-7-10(4)9(3)6-11(12)5;1-7(2)9-4-8(3)5-10(6-9)11(12)13;1-8(2)11-5-9(3)4-10(6-11)7-12;1-6(2)8-5-9(11)7(3)4-10(8)12;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)10-6-9(11)5-4-8(10)3;2*1-7(2)9-4-8(3)5-10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9;1-6(2)8-5-9-4-7(8)3/h4,7-8,11-14H,5-6,9-10H2,1-3H3;6-12H,1-5H3;4-11,13H,12H2,1-3H3;4-10H,1-3H3;4-10H,1-3H3;4-6H,1-3H3;6-8H,1-5H3;6-8H,1-5H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7H,11H2,1-3H3;4-7,11H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene?
1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene has a molecular weight of 3302.71 g/mol, XLogP of 66.55, 26 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-methyl-5-propan-2-ylbenzene;1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-1-(2-methyl-4-propan-2-ylphenoxy)benzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-methyl-5-propan-2-ylaniline;3-methyl-5-propan-2-ylbenzaldehyde;1-methyl-3-propan-2-ylbenzene;3-methyl-5-propan-2-ylbenzoic acid;1-methyl-4-propan-2-yl-2,5-bis(trifluoromethyl)benzene;2-methyl-8-propan-2-yldibenzofuran;2-methyl-6-propan-2-ylnaphthalene;3-methyl-5-propan-2-ylphenol;1-methyl-4-[(4-propan-2-ylphenyl)methyl]benzene;3-methyl-5-propan-2-ylpyridine;3-methyl-4-propan-2-ylthiophene;5-methyl-11-propan-2-yltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene;1,2,4-trimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 158483140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).