1-benzyl-2,4-diethylbenzene

C17H20 — CID 139691839

IUPAC1-benzyl-2,4-diethylbenzene
SMILESCCc1ccc(Cc2ccccc2)c(CC)c1
InChIInChI=1S/C17H20/c1-3-14-10-11-17(16(4-2)12-14)13-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3
InChIKeySHNRMDKBPTYGGC-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.40
Rot. Bonds4

About 1-benzyl-2,4-diethylbenzene

1-benzyl-2,4-diethylbenzene (PubChem CID 139691839) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-benzyl-2,4-diethylbenzene.

Molecular Properties

Compound Name1-benzyl-2,4-diethylbenzene
PubChem CID139691839
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-benzyl-2,4-diethylbenzene
SMILESCCc1ccc(Cc2ccccc2)c(CC)c1
InChIInChI=1S/C17H20/c1-3-14-10-11-17(16(4-2)12-14)13-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3
InChIKeySHNRMDKBPTYGGC-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-benzyl-4-ethenyl-2-ethylbenzene
CID 22639192
1-[(2-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]benzene
CID 22919163
1,2,4-triethylbenzene;1,2,3-trimethylbenzene
CID 160595635
1-benzyl-4-ethylbenzene;methane
CID 144571765
2,4-dibenzyl-6-ethylaniline
CID 175391866
(2,4-diethylphenyl)methanol
CID 21414896
1,4-dibenzyl-2-octylbenzene
CID 22921224
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
ethylcyclodecapentaene
CID 90861705
(2,5-diethylphenyl)methyl-triphenylphosphanium bromide
CID 87629549
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
1,2-diethylbenzene;ethylbenzene;molybdenum
CID 174058694

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4-diethylbenzene?
The IUPAC name of 1-benzyl-2,4-diethylbenzene (CID 139691839) is 1-benzyl-2,4-diethylbenzene.
What is the SMILES notation for 1-benzyl-2,4-diethylbenzene?
The canonical SMILES for 1-benzyl-2,4-diethylbenzene is CCc1ccc(Cc2ccccc2)c(CC)c1.
What is the InChIKey of 1-benzyl-2,4-diethylbenzene?
The InChIKey is SHNRMDKBPTYGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-3-14-10-11-17(16(4-2)12-14)13-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-benzyl-2,4-diethylbenzene?
1-benzyl-2,4-diethylbenzene has a molecular weight of 224.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4-diethylbenzene is sourced from PubChem (CID 139691839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).