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

C192H186 — CID 157271950

IUPAC1,3-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
SMILESCc1cc(C)c2ccccc2c1.Cc1ccc(-c2ccc(C)c3ccccc23)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2cccc3c(C)cccc23)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2c(C)cccc2c1.Cc1ccc2cc(-c3ccccc3C)ccc2c1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(-c2ccc3cc(C)ccc3c2)c1.Cc1cccc(-c2cccc3c(C)cccc23)c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccc1C
InChIInChI=1S/6C18H16.5C12H12.3C8H10/c1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;1-13-6-3-8-15(12-13)17-10-5-9-16-14(2)7-4-11-18(16)17;1-13-9-11-15(12-10-13)17-7-4-6-16-14(2)5-3-8-18(16)17;1-13-4-3-5-15(10-13)18-9-8-16-11-14(2)6-7-17(16)12-18;1-13-7-10-15(11-8-13)17-12-9-14(2)16-5-3-4-6-18(16)17;1-13-7-8-16-12-17(10-9-15(16)11-13)18-6-4-3-5-14(18)2;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;1-9-6-7-12-10(2)4-3-5-11(12)8-9;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;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h6*3-12H,1-2H3;5*3-8H,1-2H3;3*3-6H,1-2H3
InChIKeyAYQKAWOXJMOZGP-UHFFFAOYSA-N
MW2493.60 g/mol
LogP54.94
Rot. Bonds6

About 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

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 (PubChem CID 157271950) has the molecular formula C192H186 and a molecular weight of 2493.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID157271950
Molecular FormulaC192H186
Molecular Weight2493.60 g/mol
Exact Mass2491.46
IUPAC Name1,3-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
SMILESCc1cc(C)c2ccccc2c1.Cc1ccc(-c2ccc(C)c3ccccc23)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2cccc3c(C)cccc23)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2c(C)cccc2c1.Cc1ccc2cc(-c3ccccc3C)ccc2c1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(-c2ccc3cc(C)ccc3c2)c1.Cc1cccc(-c2cccc3c(C)cccc23)c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccc1C
InChIInChI=1S/6C18H16.5C12H12.3C8H10/c1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;1-13-6-3-8-15(12-13)17-10-5-9-16-14(2)7-4-11-18(16)17;1-13-9-11-15(12-10-13)17-7-4-6-16-14(2)5-3-8-18(16)17;1-13-4-3-5-15(10-13)18-9-8-16-11-14(2)6-7-17(16)12-18;1-13-7-10-15(11-8-13)17-12-9-14(2)16-5-3-4-6-18(16)17;1-13-7-8-16-12-17(10-9-15(16)11-13)18-6-4-3-5-14(18)2;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;1-9-6-7-12-10(2)4-3-5-11(12)8-9;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;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h6*3-12H,1-2H3;5*3-8H,1-2H3;3*3-6H,1-2H3
InChIKeyAYQKAWOXJMOZGP-UHFFFAOYSA-N
XLogP54.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms192
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002493.60
LogP ≤ 554.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene
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CID 159830422

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)c2ccccc2c1.Cc1ccc(-c2ccc(C)c3ccccc23)cc1.Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1.Cc1ccc(-c2cccc3c(C)cccc23)cc1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc2c(C)cccc2c1.Cc1ccc2cc(-c3ccccc3C)ccc2c1.Cc1ccc2cc(C)ccc2c1.Cc1cccc(-c2ccc3cc(C)ccc3c2)c1.Cc1cccc(-c2cccc3c(C)cccc23)c1.Cc1cccc(C)c1.Cc1cccc2c(C)cccc12.Cc1ccccc1C.
What is the InChIKey of 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?
The InChIKey is AYQKAWOXJMOZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/6C18H16.5C12H12.3C8H10/c1-13-3-6-15(7-4-13)17-10-9-16-11-14(2)5-8-18(16)12-17;1-13-6-3-8-15(12-13)17-10-5-9-16-14(2)7-4-11-18(16)17;1-13-9-11-15(12-10-13)17-7-4-6-16-14(2)5-3-8-18(16)17;1-13-4-3-5-15(10-13)18-9-8-16-11-14(2)6-7-17(16)12-18;1-13-7-10-15(11-8-13)17-12-9-14(2)16-5-3-4-6-18(16)17;1-13-7-8-16-12-17(10-9-15(16)11-13)18-6-4-3-5-14(18)2;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;1-9-6-7-12-10(2)4-3-5-11(12)8-9;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;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2/h6*3-12H,1-2H3;5*3-8H,1-2H3;3*3-6H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2493.60 g/mol, XLogP of 54.94, 6 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;1,6-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 is sourced from PubChem (CID 157271950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).