2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene

C96H80 — CID 159830422

IUPAC2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene
SMILESCc1cc(-c2ccccc2)c2ccccc2c1.Cc1ccc(-c2cccc3ccccc23)cc1.Cc1ccc2ccccc2c1.Cc1cccc(-c2cccc3ccccc23)c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1ccccc1-c1cccc2ccccc12
InChIInChI=1S/5C17H14.C11H10/c1-13-7-2-4-10-15(13)17-12-6-9-14-8-3-5-11-16(14)17;1-13-6-4-9-15(12-13)17-11-5-8-14-7-2-3-10-16(14)17;1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-15-9-5-6-10-16(15)17(12-13)14-7-3-2-4-8-14;1-9-6-7-10-4-2-3-5-11(10)8-9/h5*2-12H,1H3;2-8H,1H3
InChIKeyNNJUIENRIDOEGN-UHFFFAOYSA-N
MW1233.70 g/mol
LogP27.22
Rot. Bonds5

About 2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene

2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene (PubChem CID 159830422) has the molecular formula C96H80 and a molecular weight of 1233.70 g/mol. Its IUPAC name is 2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene.

Molecular Properties

Compound Name2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene
PubChem CID159830422
Molecular FormulaC96H80
Molecular Weight1233.70 g/mol
Exact Mass1232.63
IUPAC Name2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene
SMILESCc1cc(-c2ccccc2)c2ccccc2c1.Cc1ccc(-c2cccc3ccccc23)cc1.Cc1ccc2ccccc2c1.Cc1cccc(-c2cccc3ccccc23)c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1ccccc1-c1cccc2ccccc12
InChIInChI=1S/5C17H14.C11H10/c1-13-7-2-4-10-15(13)17-12-6-9-14-8-3-5-11-16(14)17;1-13-6-4-9-15(12-13)17-11-5-8-14-7-2-3-10-16(14)17;1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-15-9-5-6-10-16(15)17(12-13)14-7-3-2-4-8-14;1-9-6-7-10-4-2-3-5-11(10)8-9/h5*2-12H,1H3;2-8H,1H3
InChIKeyNNJUIENRIDOEGN-UHFFFAOYSA-N
XLogP27.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.70
LogP ≤ 527.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene
CID 157429164
1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;toluene
CID 158589771
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
1-methylnaphthalene;2-methylnaphthalene;2-methyl-6-phenylnaphthalene;3-methyl-1-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 162049934
1,3-bis(4-methylphenyl)benzene;1,8-dimethylnaphthalene;2,3-dimethylnaphthalene;2,6-dimethylnaphthalene;2,7-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;3-methyl-1-(4-methylphenyl)naphthalene;6-methyl-1-(4-methylphenyl)naphthalene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene
CID 161461393
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-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 162048373
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
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
bis(2-methylnaphthalene);2-methyl-6-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 159938437
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
CID 158886123
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
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 2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene?
The IUPAC name of 2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene (CID 159830422) is 2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene.
What is the SMILES notation for 2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene?
The canonical SMILES for 2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene is Cc1cc(-c2ccccc2)c2ccccc2c1.Cc1ccc(-c2cccc3ccccc23)cc1.Cc1ccc2ccccc2c1.Cc1cccc(-c2cccc3ccccc23)c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1ccccc1-c1cccc2ccccc12.
What is the InChIKey of 2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene?
The InChIKey is NNJUIENRIDOEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/5C17H14.C11H10/c1-13-7-2-4-10-15(13)17-12-6-9-14-8-3-5-11-16(14)17;1-13-6-4-9-15(12-13)17-11-5-8-14-7-2-3-10-16(14)17;1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-15-9-5-6-10-16(15)17(12-13)14-7-3-2-4-8-14;1-9-6-7-10-4-2-3-5-11(10)8-9/h5*2-12H,1H3;2-8H,1H3.
What are the key properties of 2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene?
2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene has a molecular weight of 1233.70 g/mol, XLogP of 27.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphthalene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;1-methyl-5-phenylnaphthalene;3-methyl-1-phenylnaphthalene is sourced from PubChem (CID 159830422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).