5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol

C17H15FN2O2 — CID 168882834

IUPAC5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(-c2cc(F)c3nccnc3c2)cc1O
InChIInChI=1S/C17H15FN2O2/c1-9(2)16-14(21)7-11(8-15(16)22)10-5-12(18)17-13(6-10)19-3-4-20-17/h3-9,21-22H,1-2H3
InChIKeyUDMROESLOHJCIG-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.97
Rot. Bonds2

About 5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol

5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol (PubChem CID 168882834) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol
PubChem CID168882834
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(-c2cc(F)c3nccnc3c2)cc1O
InChIInChI=1S/C17H15FN2O2/c1-9(2)16-14(21)7-11(8-15(16)22)10-5-12(18)17-13(6-10)19-3-4-20-17/h3-9,21-22H,1-2H3
InChIKeyUDMROESLOHJCIG-UHFFFAOYSA-N
XLogP3.97
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol (CID 168882834) is 5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol is CC(C)c1c(O)cc(-c2cc(F)c3nccnc3c2)cc1O.
What is the InChIKey of 5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol?
The InChIKey is UDMROESLOHJCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-9(2)16-14(21)7-11(8-15(16)22)10-5-12(18)17-13(6-10)19-3-4-20-17/h3-9,21-22H,1-2H3.
What are the key properties of 5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol?
5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol has a molecular weight of 298.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoroquinoxalin-6-yl)-2-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 168882834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).