2,6-dimethylnaphthalene;2-methylnaphthalene

C23H22 — CID 158480305

IUPAC2,6-dimethylnaphthalene;2-methylnaphthalene
SMILESCc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1
InChIInChI=1S/C12H12.C11H10/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-8H,1-2H3;2-8H,1H3
InChIKeyHHLDGOGJIKPJFU-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.60
Rot. Bonds

About 2,6-dimethylnaphthalene;2-methylnaphthalene

2,6-dimethylnaphthalene;2-methylnaphthalene (PubChem CID 158480305) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2,6-dimethylnaphthalene;2-methylnaphthalene.

Molecular Properties

Compound Name2,6-dimethylnaphthalene;2-methylnaphthalene
PubChem CID158480305
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name2,6-dimethylnaphthalene;2-methylnaphthalene
SMILESCc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1
InChIInChI=1S/C12H12.C11H10/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-8H,1-2H3;2-8H,1H3
InChIKeyHHLDGOGJIKPJFU-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 21193556
2-methylnaphthalene;dihydrate
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CID 175090071
2-methylnaphthalene;1,2-xylene
CID 142041411
potassium;hydride;2-methylnaphthalene;tritetrafluoroborate
CID 175179501
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855
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CID 142090044
9-methylanthracene;2-methylnaphthalene
CID 159699144
butane;2-methylanthracene
CID 90696557
2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylnaphthalene;2-methylnaphthalene?
The IUPAC name of 2,6-dimethylnaphthalene;2-methylnaphthalene (CID 158480305) is 2,6-dimethylnaphthalene;2-methylnaphthalene.
What is the SMILES notation for 2,6-dimethylnaphthalene;2-methylnaphthalene?
The canonical SMILES for 2,6-dimethylnaphthalene;2-methylnaphthalene is Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccccc2c1.
What is the InChIKey of 2,6-dimethylnaphthalene;2-methylnaphthalene?
The InChIKey is HHLDGOGJIKPJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H10/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-6-7-10-4-2-3-5-11(10)8-9/h3-8H,1-2H3;2-8H,1H3.
What are the key properties of 2,6-dimethylnaphthalene;2-methylnaphthalene?
2,6-dimethylnaphthalene;2-methylnaphthalene has a molecular weight of 298.43 g/mol, XLogP of 6.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylnaphthalene;2-methylnaphthalene is sourced from PubChem (CID 158480305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).