ethoxyethane;1,2,3-triethyl-4-phenylbenzene

C22H32O — CID 66697424

IUPACethoxyethane;1,2,3-triethyl-4-phenylbenzene
SMILESCCOCC.CCc1ccc(-c2ccccc2)c(CC)c1CC
InChIInChI=1S/C18H22.C4H10O/c1-4-14-12-13-18(15-10-8-7-9-11-15)17(6-3)16(14)5-2;1-3-5-4-2/h7-13H,4-6H2,1-3H3;3-4H2,1-2H3
InChIKeyKWFZIJKDVGMPFH-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.08
Rot. Bonds6

About ethoxyethane;1,2,3-triethyl-4-phenylbenzene

ethoxyethane;1,2,3-triethyl-4-phenylbenzene (PubChem CID 66697424) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is ethoxyethane;1,2,3-triethyl-4-phenylbenzene.

Molecular Properties

Compound Nameethoxyethane;1,2,3-triethyl-4-phenylbenzene
PubChem CID66697424
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Nameethoxyethane;1,2,3-triethyl-4-phenylbenzene
SMILESCCOCC.CCc1ccc(-c2ccccc2)c(CC)c1CC
InChIInChI=1S/C18H22.C4H10O/c1-4-14-12-13-18(15-10-8-7-9-11-15)17(6-3)16(14)5-2;1-3-5-4-2/h7-13H,4-6H2,1-3H3;3-4H2,1-2H3
InChIKeyKWFZIJKDVGMPFH-UHFFFAOYSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570
1,1-Bis(3,4-dimethylphenyl)ethane
CID 74448
Isorenieratene
CID 9984420
phi,psi-Carotene
CID 10098570
1-Phenyl-1-(2,4-xylyl)ethane
CID 93022
1,1'-Biphenyl, tris(1-methylethyl)-
CID 3034466
Renierapurpurin
CID 12560031
Dimethyl(1-phenylethyl)benzene
CID 3033855
2,2',3,3'-Tetramethyl-1,1'-Biphenyl
CID 348428
2,4,6-Trimethylbiphenyl
CID 19876
1,1'-Biphenyl, 2,2',5,5'-tetramethyl-
CID 137818
1-Phenyl-1-(2,5-xylyl)ethane
CID 110796

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1,2,3-triethyl-4-phenylbenzene?
The IUPAC name of ethoxyethane;1,2,3-triethyl-4-phenylbenzene (CID 66697424) is ethoxyethane;1,2,3-triethyl-4-phenylbenzene.
What is the SMILES notation for ethoxyethane;1,2,3-triethyl-4-phenylbenzene?
The canonical SMILES for ethoxyethane;1,2,3-triethyl-4-phenylbenzene is CCOCC.CCc1ccc(-c2ccccc2)c(CC)c1CC.
What is the InChIKey of ethoxyethane;1,2,3-triethyl-4-phenylbenzene?
The InChIKey is KWFZIJKDVGMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.C4H10O/c1-4-14-12-13-18(15-10-8-7-9-11-15)17(6-3)16(14)5-2;1-3-5-4-2/h7-13H,4-6H2,1-3H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;1,2,3-triethyl-4-phenylbenzene?
ethoxyethane;1,2,3-triethyl-4-phenylbenzene has a molecular weight of 312.50 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1,2,3-triethyl-4-phenylbenzene is sourced from PubChem (CID 66697424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).