2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane

C24H22F2O — CID 89217521

IUPAC2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane
SMILESCc1ccc(-c2ccc(CCc3c(C)cc(C4CO4)c(F)c3F)cc2)cc1
InChIInChI=1S/C24H22F2O/c1-15-3-8-18(9-4-15)19-10-5-17(6-11-19)7-12-20-16(2)13-21(22-14-27-22)24(26)23(20)25/h3-6,8-11,13,22H,7,12,14H2,1-2H3
InChIKeyJSMFHDXLUOHSIN-UHFFFAOYSA-N
MW364.44 g/mol
LogP6.11
Rot. Bonds5

About 2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane

2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane (PubChem CID 89217521) has the molecular formula C24H22F2O and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane.

Molecular Properties

Compound Name2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane
PubChem CID89217521
Molecular FormulaC24H22F2O
Molecular Weight364.44 g/mol
Exact Mass364.16
IUPAC Name2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane
SMILESCc1ccc(-c2ccc(CCc3c(C)cc(C4CO4)c(F)c3F)cc2)cc1
InChIInChI=1S/C24H22F2O/c1-15-3-8-18(9-4-15)19-10-5-17(6-11-19)7-12-20-16(2)13-21(22-14-27-22)24(26)23(20)25/h3-6,8-11,13,22H,7,12,14H2,1-2H3
InChIKeyJSMFHDXLUOHSIN-UHFFFAOYSA-N
XLogP6.11
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2-(difluoromethyl)-3-fluoro-5-methyl-4-[2-[4-[4-[(3E)-octa-3,7-dienyl]phenyl]phenyl]ethyl]phenyl]oxirane
CID 89002374
2-[4-[difluoro-[4-(4-methylphenyl)phenoxy]methyl]-2,3-difluoro-5-methylphenyl]oxirane
CID 89217523
2-[4-[4-[2-(4-ethyl-3-fluorophenyl)ethyl]phenyl]-2,3-difluorophenyl]oxirane
CID 89140003
2-[4-[4-[2-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]ethyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88963675
2-[3-chloro-2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]oxirane
CID 89145644
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane
CID 21337873
(2R,5S)-2-(4-methylphenyl)-5-(4-propylphenyl)-1,4-dioxane
CID 54194992
2-[4-[4-[2-[2,3-difluoro-4-[4-[(E)-prop-1-enyl]phenyl]phenyl]ethyl]phenyl]-2-fluorophenyl]oxirane
CID 88963700
1-[4-[4-[4-[2-[2,3-difluoro-4-(oxiran-2-yl)phenyl]ethyl]phenyl]-2,3-difluorophenyl]cyclohexyl]ethanol
CID 89124883
2-(2,3-difluoro-5-methylphenyl)oxirane
CID 88927926
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane?
The IUPAC name of 2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane (CID 89217521) is 2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane.
What is the SMILES notation for 2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane?
The canonical SMILES for 2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane is Cc1ccc(-c2ccc(CCc3c(C)cc(C4CO4)c(F)c3F)cc2)cc1.
What is the InChIKey of 2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane?
The InChIKey is JSMFHDXLUOHSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2O/c1-15-3-8-18(9-4-15)19-10-5-17(6-11-19)7-12-20-16(2)13-21(22-14-27-22)24(26)23(20)25/h3-6,8-11,13,22H,7,12,14H2,1-2H3.
What are the key properties of 2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane?
2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane has a molecular weight of 364.44 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-5-methyl-4-[2-[4-(4-methylphenyl)phenyl]ethyl]phenyl]oxirane is sourced from PubChem (CID 89217521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).