3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene

C24H24 — CID 166479897

IUPAC3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(-c2cccc(C3CC(C)Cc4ccccc43)c2)cc1
InChIInChI=1S/C24H24/c1-17-10-12-19(13-11-17)20-7-5-8-22(16-20)24-15-18(2)14-21-6-3-4-9-23(21)24/h3-13,16,18,24H,14-15H2,1-2H3
InChIKeyDBKIQMAMSRGODQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.38
Rot. Bonds2

About 3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene

3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 166479897) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID166479897
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(-c2cccc(C3CC(C)Cc4ccccc43)c2)cc1
InChIInChI=1S/C24H24/c1-17-10-12-19(13-11-17)20-7-5-8-22(16-20)24-15-18(2)14-21-6-3-4-9-23(21)24/h3-13,16,18,24H,14-15H2,1-2H3
InChIKeyDBKIQMAMSRGODQ-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 166479897) is 3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene is Cc1ccc(-c2cccc(C3CC(C)Cc4ccccc43)c2)cc1.
What is the InChIKey of 3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DBKIQMAMSRGODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-17-10-12-19(13-11-17)20-7-5-8-22(16-20)24-15-18(2)14-21-6-3-4-9-23(21)24/h3-13,16,18,24H,14-15H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 312.46 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 166479897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).