1,2-diethyl-4-propylbenzene

C13H20 — CID 54363919

IUPAC1,2-diethyl-4-propylbenzene
SMILESCCCc1ccc(CC)c(CC)c1
InChIInChI=1S/C13H20/c1-4-7-11-8-9-12(5-2)13(6-3)10-11/h8-10H,4-7H2,1-3H3
InChIKeyUOKVKUFUQPBPIR-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.76
Rot. Bonds4

About 1,2-diethyl-4-propylbenzene

1,2-diethyl-4-propylbenzene (PubChem CID 54363919) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1,2-diethyl-4-propylbenzene.

Molecular Properties

Compound Name1,2-diethyl-4-propylbenzene
PubChem CID54363919
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1,2-diethyl-4-propylbenzene
SMILESCCCc1ccc(CC)c(CC)c1
InChIInChI=1S/C13H20/c1-4-7-11-8-9-12(5-2)13(6-3)10-11/h8-10H,4-7H2,1-3H3
InChIKeyUOKVKUFUQPBPIR-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-5-propylphenol
CID 522454
2-bromo-1-ethyl-4-propylbenzene
CID 67149961
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
CID 117284110
2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
4-(3,4-diethylphenyl)-N-propylbutan-1-amine
CID 115483369
4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
CID 57139112
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
CID 113319292
2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol
CID 118150619
1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482275
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
CID 143540689

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-propylbenzene?
The IUPAC name of 1,2-diethyl-4-propylbenzene (CID 54363919) is 1,2-diethyl-4-propylbenzene.
What is the SMILES notation for 1,2-diethyl-4-propylbenzene?
The canonical SMILES for 1,2-diethyl-4-propylbenzene is CCCc1ccc(CC)c(CC)c1.
What is the InChIKey of 1,2-diethyl-4-propylbenzene?
The InChIKey is UOKVKUFUQPBPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-4-7-11-8-9-12(5-2)13(6-3)10-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 1,2-diethyl-4-propylbenzene?
1,2-diethyl-4-propylbenzene has a molecular weight of 176.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-propylbenzene is sourced from PubChem (CID 54363919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).