1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene

C84H84 — CID 157418786

IUPAC1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
SMILESCc1cc(C)c2ccccc2c1.Cc1cc2ccccc2cc1C.Cc1ccc2c(C)cccc2c1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2cccc(C)c2c1.Cc1ccc2ccccc2c1C.Cc1cccc2c(C)cccc12
InChIInChI=1S/7C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-6-7-12-10(2)4-3-5-11(12)8-9;1-9-6-7-11-5-3-4-10(2)12(11)8-9;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9-7-8-11-5-3-4-6-12(11)10(9)2/h7*3-8H,1-2H3
InChIKeyBPDXKOMABXACEI-UHFFFAOYSA-N
MW1093.60 g/mol
LogP24.20
Rot. Bonds

About 1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene

1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene (PubChem CID 157418786) has the molecular formula C84H84 and a molecular weight of 1093.60 g/mol. Its IUPAC name is 1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene.

Molecular Properties

Compound Name1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
PubChem CID157418786
Molecular FormulaC84H84
Molecular Weight1093.60 g/mol
Exact Mass1092.66
IUPAC Name1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
SMILESCc1cc(C)c2ccccc2c1.Cc1cc2ccccc2cc1C.Cc1ccc2c(C)cccc2c1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2cccc(C)c2c1.Cc1ccc2ccccc2c1C.Cc1cccc2c(C)cccc12
InChIInChI=1S/7C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-6-7-12-10(2)4-3-5-11(12)8-9;1-9-6-7-11-5-3-4-10(2)12(11)8-9;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9-7-8-11-5-3-4-6-12(11)10(9)2/h7*3-8H,1-2H3
InChIKeyBPDXKOMABXACEI-UHFFFAOYSA-N
XLogP24.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.60
LogP ≤ 524.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
2-methylanthracene;9-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;9-methylphenanthrene;toluene
CID 158097915
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
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;ethane;1,2-xylene;1,3-xylene;1,4-xylene
CID 158627561
bis(1,2,4-trimethylbenzene);bis(1,2,4-trimethylnaphthalene);bis(1,2,6-trimethylnaphthalene)
CID 161343592
2,6-dimethylanthracene;9,10-dimethylanthracene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;1,6-dimethylpyrene;4,9-dimethylpyrene
CID 159763691
1,5-dimethylanthracene;9,10-dimethylanthracene;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;9,10-dimethylphenanthrene;2,9-dimethyl-1,10-phenanthroline;2,8-dimethylquinoline;2,7-dimethyltriphenylene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162252070
1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
1-methylnaphthalene;2-methylnaphthalene;1-methylphenanthrene;2-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;toluene
CID 161242482
1-methyl-6-(7-methylnaphthalen-2-yl)naphthalene
CID 143742447
1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene
CID 161084125

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene?
The IUPAC name of 1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene (CID 157418786) is 1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene.
What is the SMILES notation for 1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene?
The canonical SMILES for 1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene is Cc1cc(C)c2ccccc2c1.Cc1cc2ccccc2cc1C.Cc1ccc2c(C)cccc2c1.Cc1ccc2ccc(C)cc2c1.Cc1ccc2cccc(C)c2c1.Cc1ccc2ccccc2c1C.Cc1cccc2c(C)cccc12.
What is the InChIKey of 1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene?
The InChIKey is BPDXKOMABXACEI-UHFFFAOYSA-N. The full InChI is InChI=1S/7C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-9-6-7-12-10(2)4-3-5-11(12)8-9;1-9-6-7-11-5-3-4-10(2)12(11)8-9;1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-9-7-10(2)12-6-4-3-5-11(12)8-9;1-9-7-8-11-5-3-4-6-12(11)10(9)2/h7*3-8H,1-2H3.
What are the key properties of 1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene?
1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene has a molecular weight of 1093.60 g/mol, XLogP of 24.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylnaphthalene;1,3-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene is sourced from PubChem (CID 157418786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).