2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile

C14H10FNO2 — CID 107118700

IUPAC2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile
SMILESN#Cc1cccc(COc2cccc(O)c2)c1F
InChIInChI=1S/C14H10FNO2/c15-14-10(8-16)3-1-4-11(14)9-18-13-6-2-5-12(17)7-13/h1-7,17H,9H2
InChIKeyJBMWDNIMEPDQTQ-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.98
Rot. Bonds3

About 2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile

2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile (PubChem CID 107118700) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile
PubChem CID107118700
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile
SMILESN#Cc1cccc(COc2cccc(O)c2)c1F
InChIInChI=1S/C14H10FNO2/c15-14-10(8-16)3-1-4-11(14)9-18-13-6-2-5-12(17)7-13/h1-7,17H,9H2
InChIKeyJBMWDNIMEPDQTQ-UHFFFAOYSA-N
XLogP2.98
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenoxy)methyl]-2-fluorobenzonitrile
CID 107115105
2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
CID 107115097
2-[3-[(3-cyano-2-fluorophenyl)methoxy]phenyl]acetic acid
CID 107113957
3-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 107115102
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 103912173
3-(1,3-benzodioxol-5-yloxymethyl)-2-fluorobenzonitrile
CID 107115140
4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
CID 78952689
3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107115182
2-fluoro-3-[(2,4,6-tribromophenoxy)methyl]benzonitrile
CID 107115160
2-fluoro-3-[(4-methylsulfonylphenoxy)methyl]benzonitrile
CID 103886683
3-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107114258

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile (CID 107118700) is 2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile is N#Cc1cccc(COc2cccc(O)c2)c1F.
What is the InChIKey of 2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile?
The InChIKey is JBMWDNIMEPDQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-14-10(8-16)3-1-4-11(14)9-18-13-6-2-5-12(17)7-13/h1-7,17H,9H2.
What are the key properties of 2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile?
2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile has a molecular weight of 243.24 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(3-hydroxyphenoxy)methyl]benzonitrile is sourced from PubChem (CID 107118700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).