4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol

C28H27F2NO3 — CID 46933992

IUPAC4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
InChIInChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
InChIKeyKDAUXYRYNLBXOV-UHFFFAOYSA-N
MW463.52 g/mol
LogP6.79
Rot. Bonds9

About 4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol

4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol (PubChem CID 46933992) has the molecular formula C28H27F2NO3 and a molecular weight of 463.52 g/mol. Its IUPAC name is 4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol
PubChem CID46933992
Molecular FormulaC28H27F2NO3
Molecular Weight463.52 g/mol
Exact Mass463.20
IUPAC Name4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
InChIInChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
InChIKeyKDAUXYRYNLBXOV-UHFFFAOYSA-N
XLogP6.79
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.52
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol (CID 46933992) is 4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol is CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1.
What is the InChIKey of 4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol?
The InChIKey is KDAUXYRYNLBXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3.
What are the key properties of 4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol?
4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol has a molecular weight of 463.52 g/mol, XLogP of 6.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[8-[3-(difluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]-2-methylbutan-2-ol is sourced from PubChem (CID 46933992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).