1,3-diethyl-2-(2-phenylethyl)benzene

C18H22 — CID 14325369

IUPAC1,3-diethyl-2-(2-phenylethyl)benzene
SMILESCCc1cccc(CC)c1CCc1ccccc1
InChIInChI=1S/C18H22/c1-3-16-11-8-12-17(4-2)18(16)14-13-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyOMQNGTJXGYTOJZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.60
Rot. Bonds5

About 1,3-diethyl-2-(2-phenylethyl)benzene

1,3-diethyl-2-(2-phenylethyl)benzene (PubChem CID 14325369) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,3-diethyl-2-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1,3-diethyl-2-(2-phenylethyl)benzene
PubChem CID14325369
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1,3-diethyl-2-(2-phenylethyl)benzene
SMILESCCc1cccc(CC)c1CCc1ccccc1
InChIInChI=1S/C18H22/c1-3-16-11-8-12-17(4-2)18(16)14-13-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKeyOMQNGTJXGYTOJZ-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
1,2-diethylbenzene;ethylbenzene;molybdenum
CID 174058694
1-benzyl-2,3-dipropylbenzene
CID 22920914
ethyl 2-ethyl-3-(2-phenylethyl)benzoate
CID 118039726
ethane;methane;2-phenylethylbenzene
CID 158652330
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285
2-ethylphenol;2-phenylethanol
CID 157102342
hafnium;2-phenylethylbenzene
CID 173109801
2-ethyl-5-(2-phenylethyl)benzene-1,3-dicarboxylic acid
CID 175316956
ethylcyclodecapentaene
CID 90861705
1,2-diethylbenzene;hydrobromide
CID 174973685
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(2-phenylethyl)benzene?
The IUPAC name of 1,3-diethyl-2-(2-phenylethyl)benzene (CID 14325369) is 1,3-diethyl-2-(2-phenylethyl)benzene.
What is the SMILES notation for 1,3-diethyl-2-(2-phenylethyl)benzene?
The canonical SMILES for 1,3-diethyl-2-(2-phenylethyl)benzene is CCc1cccc(CC)c1CCc1ccccc1.
What is the InChIKey of 1,3-diethyl-2-(2-phenylethyl)benzene?
The InChIKey is OMQNGTJXGYTOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-3-16-11-8-12-17(4-2)18(16)14-13-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 1,3-diethyl-2-(2-phenylethyl)benzene?
1,3-diethyl-2-(2-phenylethyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(2-phenylethyl)benzene is sourced from PubChem (CID 14325369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).