4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol

C15H14FNO — CID 83130051

IUPAC4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol
SMILESOc1ccc(F)cc1C1CCCc2cccnc21
InChIInChI=1S/C15H14FNO/c16-11-6-7-14(18)13(9-11)12-5-1-3-10-4-2-8-17-15(10)12/h2,4,6-9,12,18H,1,3,5H2
InChIKeyOZHGSPQMKFUQMI-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.39
Rot. Bonds1

About 4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol

4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol (PubChem CID 83130051) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol
PubChem CID83130051
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol
SMILESOc1ccc(F)cc1C1CCCc2cccnc21
InChIInChI=1S/C15H14FNO/c16-11-6-7-14(18)13(9-11)12-5-1-3-10-4-2-8-17-15(10)12/h2,4,6-9,12,18H,1,3,5H2
InChIKeyOZHGSPQMKFUQMI-UHFFFAOYSA-N
XLogP3.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol?
The IUPAC name of 4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol (CID 83130051) is 4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol?
The canonical SMILES for 4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol is Oc1ccc(F)cc1C1CCCc2cccnc21.
What is the InChIKey of 4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol?
The InChIKey is OZHGSPQMKFUQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-11-6-7-14(18)13(9-11)12-5-1-3-10-4-2-8-17-15(10)12/h2,4,6-9,12,18H,1,3,5H2.
What are the key properties of 4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol?
4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol has a molecular weight of 243.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol is sourced from PubChem (CID 83130051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).