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

C102H116 — CID 159076135

IUPAC1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1cc(C)c2ccccc2c1.Cc1cc(C)cc(-c2ccccc2)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12
InChIInChI=1S/2C14H14.3C12H12.C12H18.C10H14.2C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-10(2)12-6-4-3-5-11(12)8-9;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/h2*3-10H,1-2H3;3*3-8H,1-2H3;1-6H3;5-6H,1-4H3;2*3-6H,1-2H3
InChIKeyKAGTVLBDPADUSR-UHFFFAOYSA-N
MW1342.05 g/mol
LogP29.38
Rot. Bonds2

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

1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene (PubChem CID 159076135) has the molecular formula C102H116 and a molecular weight of 1342.05 g/mol. Its IUPAC name is 1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene
PubChem CID159076135
Molecular FormulaC102H116
Molecular Weight1342.05 g/mol
Exact Mass1340.91
IUPAC Name1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1cc(C)c2ccccc2c1.Cc1cc(C)cc(-c2ccccc2)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12
InChIInChI=1S/2C14H14.3C12H12.C12H18.C10H14.2C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-10(2)12-6-4-3-5-11(12)8-9;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/h2*3-10H,1-2H3;3*3-8H,1-2H3;1-6H3;5-6H,1-4H3;2*3-6H,1-2H3
InChIKeyKAGTVLBDPADUSR-UHFFFAOYSA-N
XLogP29.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001342.05
LogP ≤ 529.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561
1,5-dimethylnaphthalene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;2-methylnaphthalene;1,2,3,4,5-pentamethylbenzene;1,2,3,5-tetramethylbenzene;1,3-xylene;1,4-xylene
CID 159354320
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(3-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;2-methyl-6-(2-methylphenyl)naphthalene;2-methyl-6-(3-methylphenyl)naphthalene;2-methyl-6-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157271950
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
1,2-bis(2-methylphenyl)benzene;1,2-bis(3-methylphenyl)benzene;1,4-bis(2-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1-methyl-2-[2-(3-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene
CID 157445243
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 159021382
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
1,1'-biphenyl;ethane;naphthalene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene
CID 159707891
1,4-bis(4-methylphenyl)benzene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 158604193
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene?
The IUPAC name of 1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene (CID 159076135) is 1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene is Cc1c(C)c(C)c(C)c(C)c1C.Cc1cc(C)c(C)cc1C.Cc1cc(C)c2ccccc2c1.Cc1cc(C)cc(-c2ccccc2)c1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.
What is the InChIKey of 1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene?
The InChIKey is KAGTVLBDPADUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14.3C12H12.C12H18.C10H14.2C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-7-10(2)12-6-4-3-5-11(12)8-9;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/h2*3-10H,1-2H3;3*3-8H,1-2H3;1-6H3;5-6H,1-4H3;2*3-6H,1-2H3.
What are the key properties of 1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene?
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene has a molecular weight of 1342.05 g/mol, XLogP of 29.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,3-dimethyl-5-phenylbenzene;1,2,3,4,5,6-hexamethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 159076135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).