6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene

C22H24 — CID 157113541

IUPAC6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene
SMILESCc1cccc(-c2cccc3cc(CC(C)(C)C)ccc23)c1
InChIInChI=1S/C22H24/c1-16-7-5-8-18(13-16)20-10-6-9-19-14-17(11-12-21(19)20)15-22(2,3)4/h5-14H,15H2,1-4H3
InChIKeyUVUODBDPHWQGBH-UHFFFAOYSA-N
MW288.43 g/mol
LogP6.40
Rot. Bonds2

About 6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene

6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene (PubChem CID 157113541) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene
PubChem CID157113541
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene
SMILESCc1cccc(-c2cccc3cc(CC(C)(C)C)ccc23)c1
InChIInChI=1S/C22H24/c1-16-7-5-8-18(13-16)20-10-6-9-19-14-17(11-12-21(19)20)15-22(2,3)4/h5-14H,15H2,1-4H3
InChIKeyUVUODBDPHWQGBH-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,5-dimethylphenyl)-6-methylnaphthalene
CID 140744317
4-[10-[3-(2,2-dimethylpropyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 168838299
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
4-(3,5-dimethylphenyl)-8-(2,2-dimethylpropyl)benzo[f]isoquinoline
CID 156787409
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
CID 59500404
2,8-dimethyl-6,12-bis(3-naphthalen-1-ylphenyl)chrysene
CID 59434520
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 158936046
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
CID 138464254
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
15-(3,5-dimethylphenyl)-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 164783128

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene?
The IUPAC name of 6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene (CID 157113541) is 6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene?
The canonical SMILES for 6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene is Cc1cccc(-c2cccc3cc(CC(C)(C)C)ccc23)c1.
What is the InChIKey of 6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene?
The InChIKey is UVUODBDPHWQGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-16-7-5-8-18(13-16)20-10-6-9-19-14-17(11-12-21(19)20)15-22(2,3)4/h5-14H,15H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene?
6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene has a molecular weight of 288.43 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene is sourced from PubChem (CID 157113541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).