5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile

C17H10FNO2 — CID 152563085

IUPAC5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile
SMILESN#Cc1cc(F)ccc1Oc1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H10FNO2/c18-14-3-6-17(13(7-14)10-19)21-16-5-2-11-8-15(20)4-1-12(11)9-16/h1-9,20H
InChIKeyYPXIBJNUZJCVAE-UHFFFAOYSA-N
MW279.27 g/mol
LogP4.35
Rot. Bonds2

About 5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile

5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile (PubChem CID 152563085) has the molecular formula C17H10FNO2 and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile
PubChem CID152563085
Molecular FormulaC17H10FNO2
Molecular Weight279.27 g/mol
Exact Mass279.07
IUPAC Name5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile
SMILESN#Cc1cc(F)ccc1Oc1ccc2cc(O)ccc2c1
InChIInChI=1S/C17H10FNO2/c18-14-3-6-17(13(7-14)10-19)21-16-5-2-11-8-15(20)4-1-12(11)9-16/h1-9,20H
InChIKeyYPXIBJNUZJCVAE-UHFFFAOYSA-N
XLogP4.35
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile?
The IUPAC name of 5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile (CID 152563085) is 5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile.
What is the SMILES notation for 5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile?
The canonical SMILES for 5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile is N#Cc1cc(F)ccc1Oc1ccc2cc(O)ccc2c1.
What is the InChIKey of 5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile?
The InChIKey is YPXIBJNUZJCVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO2/c18-14-3-6-17(13(7-14)10-19)21-16-5-2-11-8-15(20)4-1-12(11)9-16/h1-9,20H.
What are the key properties of 5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile?
5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile has a molecular weight of 279.27 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-hydroxynaphthalen-2-yl)oxybenzonitrile is sourced from PubChem (CID 152563085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).