1-ethyl-2,4-dimethyl-3,5-diphenylbenzene

C22H22 — CID 173306034

IUPAC1-ethyl-2,4-dimethyl-3,5-diphenylbenzene
SMILESCCc1cc(-c2ccccc2)c(C)c(-c2ccccc2)c1C
InChIInChI=1S/C22H22/c1-4-18-15-21(19-11-7-5-8-12-19)17(3)22(16(18)2)20-13-9-6-10-14-20/h5-15H,4H2,1-3H3
InChIKeyKHUZQNBDODPSRZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.20
Rot. Bonds3

About 1-ethyl-2,4-dimethyl-3,5-diphenylbenzene

1-ethyl-2,4-dimethyl-3,5-diphenylbenzene (PubChem CID 173306034) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-ethyl-2,4-dimethyl-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-ethyl-2,4-dimethyl-3,5-diphenylbenzene
PubChem CID173306034
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-ethyl-2,4-dimethyl-3,5-diphenylbenzene
SMILESCCc1cc(-c2ccccc2)c(C)c(-c2ccccc2)c1C
InChIInChI=1S/C22H22/c1-4-18-15-21(19-11-7-5-8-12-19)17(3)22(16(18)2)20-13-9-6-10-14-20/h5-15H,4H2,1-3H3
InChIKeyKHUZQNBDODPSRZ-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
3-ethyl-4-methyl-5-phenylbenzenethiol
CID 143857621
4-(3-ethyl-2-methyl-6-phenylphenyl)phenol
CID 139603227
(2,3,4-trimethyl-5-phenylphenyl)methanol
CID 87491208
2,3,5,6-tetramethyl-4-phenylpyrylium
CID 23254471
1-ethyl-2,4-diphenylbenzene
CID 59359551
4-ethyl-3-methyl-2-phenylbenzonitrile
CID 98010488
4-methyl-2,3,5-triphenylbenzenesulfonic acid;phosphane
CID 174911967
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
2,3,6-triethyl-5-phenylphenol
CID 101302393
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
1-ethyl-3-methyl-2-(2-phenylphenyl)benzene
CID 175280836

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dimethyl-3,5-diphenylbenzene?
The IUPAC name of 1-ethyl-2,4-dimethyl-3,5-diphenylbenzene (CID 173306034) is 1-ethyl-2,4-dimethyl-3,5-diphenylbenzene.
What is the SMILES notation for 1-ethyl-2,4-dimethyl-3,5-diphenylbenzene?
The canonical SMILES for 1-ethyl-2,4-dimethyl-3,5-diphenylbenzene is CCc1cc(-c2ccccc2)c(C)c(-c2ccccc2)c1C.
What is the InChIKey of 1-ethyl-2,4-dimethyl-3,5-diphenylbenzene?
The InChIKey is KHUZQNBDODPSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-4-18-15-21(19-11-7-5-8-12-19)17(3)22(16(18)2)20-13-9-6-10-14-20/h5-15H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,4-dimethyl-3,5-diphenylbenzene?
1-ethyl-2,4-dimethyl-3,5-diphenylbenzene has a molecular weight of 286.42 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dimethyl-3,5-diphenylbenzene is sourced from PubChem (CID 173306034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).