2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene

C20H26 — CID 123325932

IUPAC2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
SMILESCCc1cc(CCc2ccc(C)c(CC)c2)ccc1C
InChIInChI=1S/C20H26/c1-5-19-13-17(9-7-15(19)3)11-12-18-10-8-16(4)20(6-2)14-18/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyJRVVRAVHQOQIGF-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.21
Rot. Bonds5

About 2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene

2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene (PubChem CID 123325932) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene.

Molecular Properties

Compound Name2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
PubChem CID123325932
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
SMILESCCc1cc(CCc2ccc(C)c(CC)c2)ccc1C
InChIInChI=1S/C20H26/c1-5-19-13-17(9-7-15(19)3)11-12-18-10-8-16(4)20(6-2)14-18/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyJRVVRAVHQOQIGF-UHFFFAOYSA-N
XLogP5.21
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 ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
CID 84696121
2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene
CID 144520544
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene
CID 143248151
2-(2-methyl-5-propylphenyl)acetyl chloride
CID 59115312
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
(Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine
CID 146290680
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
1,2-diethyl-4-propylbenzene
CID 54363919

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene?
The IUPAC name of 2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene (CID 123325932) is 2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene.
What is the SMILES notation for 2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene?
The canonical SMILES for 2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene is CCc1cc(CCc2ccc(C)c(CC)c2)ccc1C.
What is the InChIKey of 2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene?
The InChIKey is JRVVRAVHQOQIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-5-19-13-17(9-7-15(19)3)11-12-18-10-8-16(4)20(6-2)14-18/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of 2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene?
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene has a molecular weight of 266.43 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene is sourced from PubChem (CID 123325932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).