2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline

C22H15F2NO — CID 8966170

IUPAC2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline
SMILESFC(F)Oc1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H15F2NO/c23-22(24)26-21-13-7-5-11-17(21)20-14-18(15-8-2-1-3-9-15)16-10-4-6-12-19(16)25-20/h1-14,22H
InChIKeyYRGXJCDJPZKDRI-UHFFFAOYSA-N
MW347.36 g/mol
LogP6.17
Rot. Bonds4

About 2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline

2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline (PubChem CID 8966170) has the molecular formula C22H15F2NO and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline
PubChem CID8966170
Molecular FormulaC22H15F2NO
Molecular Weight347.36 g/mol
Exact Mass347.11
IUPAC Name2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline
SMILESFC(F)Oc1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H15F2NO/c23-22(24)26-21-13-7-5-11-17(21)20-14-18(15-8-2-1-3-9-15)16-10-4-6-12-19(16)25-20/h1-14,22H
InChIKeyYRGXJCDJPZKDRI-UHFFFAOYSA-N
XLogP6.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline (CID 8966170) is 2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline is FC(F)Oc1ccccc1-c1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline?
The InChIKey is YRGXJCDJPZKDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO/c23-22(24)26-21-13-7-5-11-17(21)20-14-18(15-8-2-1-3-9-15)16-10-4-6-12-19(16)25-20/h1-14,22H.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline?
2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline has a molecular weight of 347.36 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline is sourced from PubChem (CID 8966170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).