bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene

C88H114Cl2F2N2 — CID 162195112

IUPACbis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene
SMILESCc1cc(Cl)c(Cl)cc1C.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(F)cc1C.Cc1cccc(F)c1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C
InChIInChI=1S/2C12H18.2C9H12.C8H8Cl2.2C8H9F.C8H10.2C7H9N/c2*1-9-6-7-11(8-10(9)2)12(3,4)5;2*1-7-4-5-8(2)9(3)6-7;1-5-3-7(9)8(10)4-6(5)2;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-8(9)7(6)2;1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2/h2*6-8H,1-5H3;2*4-6H,1-3H3;3-4H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyZQVJGZRSLSPAHH-UHFFFAOYSA-N
MW1308.80 g/mol
LogP26.62
Rot. Bonds

About bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene

bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene (PubChem CID 162195112) has the molecular formula C88H114Cl2F2N2 and a molecular weight of 1308.80 g/mol. Its IUPAC name is bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene.

Molecular Properties

Compound Namebis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene
PubChem CID162195112
Molecular FormulaC88H114Cl2F2N2
Molecular Weight1308.80 g/mol
Exact Mass1306.83
IUPAC Namebis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene
SMILESCc1cc(Cl)c(Cl)cc1C.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(F)cc1C.Cc1cccc(F)c1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C
InChIInChI=1S/2C12H18.2C9H12.C8H8Cl2.2C8H9F.C8H10.2C7H9N/c2*1-9-6-7-11(8-10(9)2)12(3,4)5;2*1-7-4-5-8(2)9(3)6-7;1-5-3-7(9)8(10)4-6(5)2;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-8(9)7(6)2;1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2/h2*6-8H,1-5H3;2*4-6H,1-3H3;3-4H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyZQVJGZRSLSPAHH-UHFFFAOYSA-N
XLogP26.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001308.80
LogP ≤ 526.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene with MolForge

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Related Compounds

1,3-dichloro-2-methylbenzene;bis(2,3-dimethylpyridine);1-fluoro-2-methylbenzene
CID 158361621
1,3-difluoro-2-methylbenzene;3-fluoro-4-methylpyridine;1,2-xylene
CID 160980861
1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;1,3-ditert-butyl-5-methylbenzene;1-fluoro-4-methylbenzene;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
CID 158267653
3,4-dimethylpyridine;1,2-xylene
CID 158871716
1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 143291737
2,3-dimethylpyridine;1,4-xylene
CID 174745079
2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane
CID 158000853
2,4-difluoro-1-methylbenzene;2-fluoro-1,4-dimethylbenzene;1-fluoro-4-methylbenzene;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene
CID 161267904
CID 88656864
CID 88656864
2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2,7-dimethylfluoren-9-one;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;2,6-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;2,3,6-trimethylpyridine
CID 159509286
3-(2-chloro-4-fluorophenyl)-4-methylpyridine
CID 56710047
bis(2,3-dimethylpyridine);ethane
CID 159594018

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene?
The IUPAC name of bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene (CID 162195112) is bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene.
What is the SMILES notation for bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene?
The canonical SMILES for bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene is Cc1cc(Cl)c(Cl)cc1C.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C(C)(C)C)cc1C.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(F)cc1C.Cc1cccc(F)c1C.Cc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C.
What is the InChIKey of bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene?
The InChIKey is ZQVJGZRSLSPAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18.2C9H12.C8H8Cl2.2C8H9F.C8H10.2C7H9N/c2*1-9-6-7-11(8-10(9)2)12(3,4)5;2*1-7-4-5-8(2)9(3)6-7;1-5-3-7(9)8(10)4-6(5)2;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-8(9)7(6)2;1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2/h2*6-8H,1-5H3;2*4-6H,1-3H3;3-4H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene?
bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene has a molecular weight of 1308.80 g/mol, XLogP of 26.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-1,2-dimethylbenzene);1,2-dichloro-4,5-dimethylbenzene;2,3-dimethylpyridine;3,4-dimethylpyridine;1-fluoro-2,3-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;bis(1,2,4-trimethylbenzene);1,2-xylene is sourced from PubChem (CID 162195112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).