2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene

C20H26 — CID 59876774

IUPAC2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
SMILESCCCc1ccc(CCc2ccc(C)cc2)c(C)c1C
InChIInChI=1S/C20H26/c1-5-6-19-13-14-20(17(4)16(19)3)12-11-18-9-7-15(2)8-10-18/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyXTKSODGSCSUTLT-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.35
Rot. Bonds5

About 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene

2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene (PubChem CID 59876774) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene.

Molecular Properties

Compound Name2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
PubChem CID59876774
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
SMILESCCCc1ccc(CCc2ccc(C)cc2)c(C)c1C
InChIInChI=1S/C20H26/c1-5-6-19-13-14-20(17(4)16(19)3)12-11-18-9-7-15(2)8-10-18/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyXTKSODGSCSUTLT-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene?
The IUPAC name of 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene (CID 59876774) is 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene.
What is the SMILES notation for 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene?
The canonical SMILES for 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene is CCCc1ccc(CCc2ccc(C)cc2)c(C)c1C.
What is the InChIKey of 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene?
The InChIKey is XTKSODGSCSUTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-5-6-19-13-14-20(17(4)16(19)3)12-11-18-9-7-15(2)8-10-18/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene?
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene has a molecular weight of 266.43 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene is sourced from PubChem (CID 59876774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).