1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene

C20H26 — CID 168781285

IUPAC1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene
SMILESCCCc1cc(C)c(C)cc1CCc1ccc(C)cc1
InChIInChI=1S/C20H26/c1-5-6-19-13-16(3)17(4)14-20(19)12-11-18-9-7-15(2)8-10-18/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyBXLMKRIDQPPIBK-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.35
Rot. Bonds5

About 1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene

1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene (PubChem CID 168781285) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene
PubChem CID168781285
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene
SMILESCCCc1cc(C)c(C)cc1CCc1ccc(C)cc1
InChIInChI=1S/C20H26/c1-5-6-19-13-16(3)17(4)14-20(19)12-11-18-9-7-15(2)8-10-18/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyBXLMKRIDQPPIBK-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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Related Compounds

2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
CID 59876774
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
4-(4-methylphenyl)-1,2-dipropylbenzene
CID 159068290
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-methyl-4-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethynyl]benzene
CID 139767054
1-methyl-4-[4-(4-methylphenyl)phenyl]-2,5-dipropylbenzene
CID 59821643
1,4-bis(4-methylphenyl)-2,5-dipropylbenzene
CID 59821666

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene?
The IUPAC name of 1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene (CID 168781285) is 1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene.
What is the SMILES notation for 1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene?
The canonical SMILES for 1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene is CCCc1cc(C)c(C)cc1CCc1ccc(C)cc1.
What is the InChIKey of 1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene?
The InChIKey is BXLMKRIDQPPIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-5-6-19-13-16(3)17(4)14-20(19)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 1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene?
1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-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 1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene is sourced from PubChem (CID 168781285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).