2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol

C31H22FNO2 — CID 139232881

IUPAC2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol
SMILESOCCc1cc2c(-c3ccc(F)cc3)nc3c(-c4ccccc4)cc(-c4ccccc4)cc3c2o1
InChIInChI=1S/C31H22FNO2/c32-24-13-11-22(12-14-24)29-28-19-25(15-16-34)35-31(28)27-18-23(20-7-3-1-4-8-20)17-26(30(27)33-29)21-9-5-2-6-10-21/h1-14,17-19,34H,15-16H2
InChIKeyQCJMPEGRQFXSLO-UHFFFAOYSA-N
MW459.52 g/mol
LogP7.66
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol

2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol (PubChem CID 139232881) has the molecular formula C31H22FNO2 and a molecular weight of 459.52 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol
PubChem CID139232881
Molecular FormulaC31H22FNO2
Molecular Weight459.52 g/mol
Exact Mass459.16
IUPAC Name2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol
SMILESOCCc1cc2c(-c3ccc(F)cc3)nc3c(-c4ccccc4)cc(-c4ccccc4)cc3c2o1
InChIInChI=1S/C31H22FNO2/c32-24-13-11-22(12-14-24)29-28-19-25(15-16-34)35-31(28)27-18-23(20-7-3-1-4-8-20)17-26(30(27)33-29)21-9-5-2-6-10-21/h1-14,17-19,34H,15-16H2
InChIKeyQCJMPEGRQFXSLO-UHFFFAOYSA-N
XLogP7.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.52
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol?
The IUPAC name of 2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol (CID 139232881) is 2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol?
The canonical SMILES for 2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol is OCCc1cc2c(-c3ccc(F)cc3)nc3c(-c4ccccc4)cc(-c4ccccc4)cc3c2o1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol?
The InChIKey is QCJMPEGRQFXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FNO2/c32-24-13-11-22(12-14-24)29-28-19-25(15-16-34)35-31(28)27-18-23(20-7-3-1-4-8-20)17-26(30(27)33-29)21-9-5-2-6-10-21/h1-14,17-19,34H,15-16H2.
What are the key properties of 2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol?
2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol has a molecular weight of 459.52 g/mol, XLogP of 7.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-6,8-diphenylfuro[3,2-c]quinolin-2-yl]ethanol is sourced from PubChem (CID 139232881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).