2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan

C22H21F3O2 — CID 167864765

IUPAC2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan
SMILESCOc1ccc(C(C)(C)C)cc1-c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C22H21F3O2/c1-21(2,3)14-9-10-18(26-4)16(13-14)20-12-11-19(27-20)15-7-5-6-8-17(15)22(23,24)25/h5-13H,1-4H3
InChIKeyGRWCNBDVGSOFEH-UHFFFAOYSA-N
MW374.40 g/mol
LogP6.94
Rot. Bonds3

About 2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan

2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan (PubChem CID 167864765) has the molecular formula C22H21F3O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan
PubChem CID167864765
Molecular FormulaC22H21F3O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan
SMILESCOc1ccc(C(C)(C)C)cc1-c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C22H21F3O2/c1-21(2,3)14-9-10-18(26-4)16(13-14)20-12-11-19(27-20)15-7-5-6-8-17(15)22(23,24)25/h5-13H,1-4H3
InChIKeyGRWCNBDVGSOFEH-UHFFFAOYSA-N
XLogP6.94
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan (CID 167864765) is 2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan is COc1ccc(C(C)(C)C)cc1-c1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan?
The InChIKey is GRWCNBDVGSOFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3O2/c1-21(2,3)14-9-10-18(26-4)16(13-14)20-12-11-19(27-20)15-7-5-6-8-17(15)22(23,24)25/h5-13H,1-4H3.
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan?
2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan has a molecular weight of 374.40 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 167864765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).