1,2,4-triethylbenzene;1,2,3-trimethylbenzene

C21H30 — CID 160595635

IUPAC1,2,4-triethylbenzene;1,2,3-trimethylbenzene
SMILESCCc1ccc(CC)c(CC)c1.Cc1cccc(C)c1C
InChIInChI=1S/C12H18.C9H12/c1-4-10-7-8-11(5-2)12(6-3)9-10;1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3;4-6H,1-3H3
InChIKeyRDPATQSAGRCJLB-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.99
Rot. Bonds3

About 1,2,4-triethylbenzene;1,2,3-trimethylbenzene

1,2,4-triethylbenzene;1,2,3-trimethylbenzene (PubChem CID 160595635) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1,2,4-triethylbenzene;1,2,3-trimethylbenzene.

Molecular Properties

Compound Name1,2,4-triethylbenzene;1,2,3-trimethylbenzene
PubChem CID160595635
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name1,2,4-triethylbenzene;1,2,3-trimethylbenzene
SMILESCCc1ccc(CC)c(CC)c1.Cc1cccc(C)c1C
InChIInChI=1S/C12H18.C9H12/c1-4-10-7-8-11(5-2)12(6-3)9-10;1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3;4-6H,1-3H3
InChIKeyRDPATQSAGRCJLB-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-benzyl-2,4-diethylbenzene
CID 139691839
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
(2,4-diethylphenyl)methanol
CID 21414896
1-(3,4-diethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115482234
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
acetylene;1,4-diethyl-2-methylbenzene;ethane
CID 143147503
1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482275
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
1,2-diethyl-4-propylbenzene
CID 54363919
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
2-(2,5-diethylphenyl)ethanamine
CID 117277667

Frequently Asked Questions

What is the IUPAC name of 1,2,4-triethylbenzene;1,2,3-trimethylbenzene?
The IUPAC name of 1,2,4-triethylbenzene;1,2,3-trimethylbenzene (CID 160595635) is 1,2,4-triethylbenzene;1,2,3-trimethylbenzene.
What is the SMILES notation for 1,2,4-triethylbenzene;1,2,3-trimethylbenzene?
The canonical SMILES for 1,2,4-triethylbenzene;1,2,3-trimethylbenzene is CCc1ccc(CC)c(CC)c1.Cc1cccc(C)c1C.
What is the InChIKey of 1,2,4-triethylbenzene;1,2,3-trimethylbenzene?
The InChIKey is RDPATQSAGRCJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C9H12/c1-4-10-7-8-11(5-2)12(6-3)9-10;1-7-5-4-6-8(2)9(7)3/h7-9H,4-6H2,1-3H3;4-6H,1-3H3.
What are the key properties of 1,2,4-triethylbenzene;1,2,3-trimethylbenzene?
1,2,4-triethylbenzene;1,2,3-trimethylbenzene has a molecular weight of 282.47 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triethylbenzene;1,2,3-trimethylbenzene is sourced from PubChem (CID 160595635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).