1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene

C69H76 — CID 158569891

IUPAC1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene
SMILESCc1ccc(C)c(C)c1.Cc1ccc(C)c2c1CCCC2.Cc1ccc(C)c2ccccc12.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccc(C)cc2c1.Cc1cccc2c(C)cccc12
InChIInChI=1S/3C12H12.C12H16.C12H12.C9H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;2*1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-4-5-8(2)9(3)6-7/h3*3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3
InChIKeyHRYHHNSMTLERAA-UHFFFAOYSA-N
MW905.37 g/mol
LogP19.62
Rot. Bonds

About 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene

1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene (PubChem CID 158569891) has the molecular formula C69H76 and a molecular weight of 905.37 g/mol. Its IUPAC name is 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene.

Molecular Properties

Compound Name1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene
PubChem CID158569891
Molecular FormulaC69H76
Molecular Weight905.37 g/mol
Exact Mass904.59
IUPAC Name1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene
SMILESCc1ccc(C)c(C)c1.Cc1ccc(C)c2c1CCCC2.Cc1ccc(C)c2ccccc12.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccc(C)cc2c1.Cc1cccc2c(C)cccc12
InChIInChI=1S/3C12H12.C12H16.C12H12.C9H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;2*1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-4-5-8(2)9(3)6-7/h3*3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3
InChIKeyHRYHHNSMTLERAA-UHFFFAOYSA-N
XLogP19.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.37
LogP ≤ 519.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene with MolForge

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Related Compounds

1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;bis(1-methylnaphthalene);bis(2-methylnaphthalene)
CID 159884884
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 162072402
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
2-methylnaphthalene;1,2-xylene
CID 142041411
2,6-dimethylanthracene;9,10-dimethylanthracene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,3-xylene;1,4-xylene
CID 157392918
1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 157418786
2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
CID 123178820
1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene
CID 160565395
1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
1,4-dimethylanthracene;2,6-dimethylanthracene;9,10-dimethylanthracene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene;ethane
CID 161265902
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene?
The IUPAC name of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene (CID 158569891) is 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene.
What is the SMILES notation for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene?
The canonical SMILES for 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene is Cc1ccc(C)c(C)c1.Cc1ccc(C)c2c1CCCC2.Cc1ccc(C)c2ccccc12.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccc(C)cc2c1.Cc1cccc2c(C)cccc12.
What is the InChIKey of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene?
The InChIKey is HRYHHNSMTLERAA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H12.C12H16.C12H12.C9H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;2*1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-4-5-8(2)9(3)6-7/h3*3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3.
What are the key properties of 1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene?
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene has a molecular weight of 905.37 g/mol, XLogP of 19.62, 0 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;2,7-dimethylnaphthalene;5,8-dimethyl-1,2,3,4-tetrahydronaphthalene;1,2,4-trimethylbenzene is sourced from PubChem (CID 158569891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).