4-ethoxy-2-fluoro-6-hydroxybenzonitrile

C9H8FNO2 — CID 131422202

IUPAC4-ethoxy-2-fluoro-6-hydroxybenzonitrile
SMILESCCOc1cc(O)c(C#N)c(F)c1
InChIInChI=1S/C9H8FNO2/c1-2-13-6-3-8(10)7(5-11)9(12)4-6/h3-4,12H,2H2,1H3
InChIKeyKALUEKXIHNUWOS-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.80
Rot. Bonds2

About 4-ethoxy-2-fluoro-6-hydroxybenzonitrile

4-ethoxy-2-fluoro-6-hydroxybenzonitrile (PubChem CID 131422202) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 4-ethoxy-2-fluoro-6-hydroxybenzonitrile.

Molecular Properties

Compound Name4-ethoxy-2-fluoro-6-hydroxybenzonitrile
PubChem CID131422202
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name4-ethoxy-2-fluoro-6-hydroxybenzonitrile
SMILESCCOc1cc(O)c(C#N)c(F)c1
InChIInChI=1S/C9H8FNO2/c1-2-13-6-3-8(10)7(5-11)9(12)4-6/h3-4,12H,2H2,1H3
InChIKeyKALUEKXIHNUWOS-UHFFFAOYSA-N
XLogP1.80
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-2,6-difluorophenyl)acetonitrile
CID 46737617
5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile
CID 165349723
5-ethoxy-2-fluoro-3-methylphenol
CID 164891522
2-chloro-5-ethoxy-1,3-difluorobenzene
CID 118847384
3-ethoxy-2-fluoro-5-hydroxybenzonitrile
CID 18444762
2-acetyl-6-(difluoromethyl)-4-ethoxybenzonitrile
CID 171030907
2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid
CID 18444769
2-(4-ethoxy-2-fluorophenyl)acetonitrile
CID 84767796
3-acetyl-5-ethoxy-2-fluorobenzonitrile
CID 131536022
6-ethoxy-2,3-difluorobenzonitrile
CID 119017576
(2-cyano-3-fluoro-5-prop-2-enoxyphenyl) acetate
CID 23294842
ethyl 2-[2-cyano-3-hydroxy-5-(trifluoromethoxy)phenyl]acetate
CID 134653931

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-fluoro-6-hydroxybenzonitrile?
The IUPAC name of 4-ethoxy-2-fluoro-6-hydroxybenzonitrile (CID 131422202) is 4-ethoxy-2-fluoro-6-hydroxybenzonitrile.
What is the SMILES notation for 4-ethoxy-2-fluoro-6-hydroxybenzonitrile?
The canonical SMILES for 4-ethoxy-2-fluoro-6-hydroxybenzonitrile is CCOc1cc(O)c(C#N)c(F)c1.
What is the InChIKey of 4-ethoxy-2-fluoro-6-hydroxybenzonitrile?
The InChIKey is KALUEKXIHNUWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-2-13-6-3-8(10)7(5-11)9(12)4-6/h3-4,12H,2H2,1H3.
What are the key properties of 4-ethoxy-2-fluoro-6-hydroxybenzonitrile?
4-ethoxy-2-fluoro-6-hydroxybenzonitrile has a molecular weight of 181.17 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-fluoro-6-hydroxybenzonitrile is sourced from PubChem (CID 131422202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).