1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene

C177H203F3O6S — CID 158224226

IUPAC1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
SMILESCc1cc(C)c(C)cc1C.Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)cc(C(C)(C)C)c2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(c2ccc(C)c(C)c2)C(F)(F)F)cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(Oc3ccc(C)c(C)c3)c(C)c2C)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C26H30.C24H26O2.C19H21F3.C19H24.C17H18O.C16H18O2S.C16H18O.C16H18.C14H16.C10H14/c1-17-8-10-21(12-19(17)3)23-14-24(16-25(15-23)26(5,6)7)22-11-9-18(2)20(4)13-22;1-15-7-9-21(13-17(15)3)25-23-11-12-24(20(6)19(23)5)26-22-10-8-16(2)18(4)14-22;1-12-6-8-16(10-14(12)3)18(5,19(20,21)22)17-9-7-13(2)15(4)11-17;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2/h8-16H,1-7H3;7-14H,1-6H3;6-11H,1-5H3;7-12H,1-6H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;5-6H,1-4H3
InChIKeyGDPJPJMIICEQMP-UHFFFAOYSA-N
MW2515.63 g/mol
LogP49.91
Rot. Bonds17

About 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene

1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene (PubChem CID 158224226) has the molecular formula C177H203F3O6S and a molecular weight of 2515.63 g/mol. Its IUPAC name is 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene.

Molecular Properties

Compound Name1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
PubChem CID158224226
Molecular FormulaC177H203F3O6S
Molecular Weight2515.63 g/mol
Exact Mass2513.53
IUPAC Name1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
SMILESCc1cc(C)c(C)cc1C.Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)cc(C(C)(C)C)c2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(c2ccc(C)c(C)c2)C(F)(F)F)cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(Oc3ccc(C)c(C)c3)c(C)c2C)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C26H30.C24H26O2.C19H21F3.C19H24.C17H18O.C16H18O2S.C16H18O.C16H18.C14H16.C10H14/c1-17-8-10-21(12-19(17)3)23-14-24(16-25(15-23)26(5,6)7)22-11-9-18(2)20(4)13-22;1-15-7-9-21(13-17(15)3)25-23-11-12-24(20(6)19(23)5)26-22-10-8-16(2)18(4)14-22;1-12-6-8-16(10-14(12)3)18(5,19(20,21)22)17-9-7-13(2)15(4)11-17;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2/h8-16H,1-7H3;7-14H,1-6H3;6-11H,1-5H3;7-12H,1-6H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;5-6H,1-4H3
InChIKeyGDPJPJMIICEQMP-UHFFFAOYSA-N
XLogP49.91
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms187
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002515.63
LogP ≤ 549.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
The IUPAC name of 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene (CID 158224226) is 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene.
What is the SMILES notation for 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
The canonical SMILES for 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene is Cc1cc(C)c(C)cc1C.Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)cc(C(C)(C)C)c2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)(c2ccc(C)c(C)c2)C(F)(F)F)cc1C.Cc1ccc(C)c2c(C)ccc(C)c12.Cc1ccc(Oc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(Oc3ccc(C)c(C)c3)c(C)c2C)cc1C.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
The InChIKey is GDPJPJMIICEQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30.C24H26O2.C19H21F3.C19H24.C17H18O.C16H18O2S.C16H18O.C16H18.C14H16.C10H14/c1-17-8-10-21(12-19(17)3)23-14-24(16-25(15-23)26(5,6)7)22-11-9-18(2)20(4)13-22;1-15-7-9-21(13-17(15)3)25-23-11-12-24(20(6)19(23)5)26-22-10-8-16(2)18(4)14-22;1-12-6-8-16(10-14(12)3)18(5,19(20,21)22)17-9-7-13(2)15(4)11-17;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-9-5-6-11(3)14-12(4)8-7-10(2)13(9)14;1-7-5-9(3)10(4)6-8(7)2/h8-16H,1-7H3;7-14H,1-6H3;6-11H,1-5H3;7-12H,1-6H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;5-8H,1-4H3;5-6H,1-4H3.
What are the key properties of 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene?
1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene has a molecular weight of 2515.63 g/mol, XLogP of 49.91, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3,4-dimethylphenoxy)-2,3-dimethylbenzene;bis(3,4-dimethylphenyl)methanone;1-tert-butyl-3,5-bis(3,4-dimethylphenyl)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene is sourced from PubChem (CID 158224226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).