3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene

C22H24 — CID 163458233

IUPAC3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
SMILESCc1cc(C)cc(-c2cc(CC(C)C)c3ccccc3c2)c1
InChIInChI=1S/C22H24/c1-15(2)9-21-14-20(13-18-7-5-6-8-22(18)21)19-11-16(3)10-17(4)12-19/h5-8,10-15H,9H2,1-4H3
InChIKeyKZGCHFXZIPJOBR-UHFFFAOYSA-N
MW288.43 g/mol
LogP6.32
Rot. Bonds3

About 3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene

3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene (PubChem CID 163458233) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
PubChem CID163458233
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
SMILESCc1cc(C)cc(-c2cc(CC(C)C)c3ccccc3c2)c1
InChIInChI=1S/C22H24/c1-15(2)9-21-14-20(13-18-7-5-6-8-22(18)21)19-11-16(3)10-17(4)12-19/h5-8,10-15H,9H2,1-4H3
InChIKeyKZGCHFXZIPJOBR-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene
CID 140751754
4-(2-methylpropyl)pyrene
CID 18737026
2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline
CID 155627713
1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
CID 63527361
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
2-[3-(3,5-dimethylphenyl)-5-phenanthren-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122416099
2-(3,5-dimethylphenyl)-3-(2-methylpropyl)quinoxaline
CID 140872725
1-(chloromethyl)-3-phenylnaphthalene
CID 21283572
trimethyl-[1-[4-(2-methylpropyl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridin-6-yl]germane
CID 166018585
CID 70129148
CID 70129148
1,3-dimethylnaphthalene;ethane
CID 145447624
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene (CID 163458233) is 3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene is Cc1cc(C)cc(-c2cc(CC(C)C)c3ccccc3c2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene?
The InChIKey is KZGCHFXZIPJOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-15(2)9-21-14-20(13-18-7-5-6-8-22(18)21)19-11-16(3)10-17(4)12-19/h5-8,10-15H,9H2,1-4H3.
What are the key properties of 3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene?
3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene has a molecular weight of 288.43 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-(2-methylpropyl)naphthalene is sourced from PubChem (CID 163458233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).