1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene

C96H112 — CID 161126825

IUPAC1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccc1C
InChIInChI=1S/C14H14.3C12H12.C12H18.C10H14.3C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-5-9(3)10(4)6-8(7)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3-10H,1-2H3;3*3-8H,1-2H3;1-6H3;5-6H,1-4H3;3*3-6H,1-2H3
InChIKeyULRBONJLPWQQHZ-UHFFFAOYSA-N
MW1265.95 g/mol
LogP27.71
Rot. Bonds1

About 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene

1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 161126825) has the molecular formula C96H112 and a molecular weight of 1265.95 g/mol. Its IUPAC name is 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID161126825
Molecular FormulaC96H112
Molecular Weight1265.95 g/mol
Exact Mass1264.88
IUPAC Name1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccc1C
InChIInChI=1S/C14H14.3C12H12.C12H18.C10H14.3C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-5-9(3)10(4)6-8(7)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3-10H,1-2H3;3*3-8H,1-2H3;1-6H3;5-6H,1-4H3;3*3-6H,1-2H3
InChIKeyULRBONJLPWQQHZ-UHFFFAOYSA-N
XLogP27.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001265.95
LogP ≤ 527.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene (CID 161126825) is 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene is Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccc1C.
What is the InChIKey of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is ULRBONJLPWQQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.3C12H12.C12H18.C10H14.3C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-8(2)10(4)12(6)11(5)9(7)3;1-7-5-9(3)10(4)6-8(7)2;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h3-10H,1-2H3;3*3-8H,1-2H3;1-6H3;5-6H,1-4H3;3*3-6H,1-2H3.
What are the key properties of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 1265.95 g/mol, XLogP of 27.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 161126825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).