3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile

C12H9NO3 — CID 139818122

IUPAC3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile
SMILESN#Cc1cccc(Oc2ccc(CO)o2)c1
InChIInChI=1S/C12H9NO3/c13-7-9-2-1-3-10(6-9)15-12-5-4-11(8-14)16-12/h1-6,14H,8H2
InChIKeyRADZANGYUKSISG-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.44
Rot. Bonds3

About 3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile

3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile (PubChem CID 139818122) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile
PubChem CID139818122
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile
SMILESN#Cc1cccc(Oc2ccc(CO)o2)c1
InChIInChI=1S/C12H9NO3/c13-7-9-2-1-3-10(6-9)15-12-5-4-11(8-14)16-12/h1-6,14H,8H2
InChIKeyRADZANGYUKSISG-UHFFFAOYSA-N
XLogP2.44
TPSA66.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-amino-3-(cyanomethyl)phenoxy]benzonitrile
CID 102624859
3-(3-ethylphenoxy)benzonitrile
CID 66843456
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile
CID 23506220
3-(1,3-benzodioxol-5-yloxy)benzonitrile
CID 66843549
3-(1-hydroxypropan-2-yloxy)benzonitrile
CID 126975960
(3-cyanophenyl) cyanate
CID 134259418
3-(2-formylphenoxy)benzonitrile
CID 28603906
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
methyl 3-(3-cyanophenoxy)benzoate
CID 139818102
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
3-[3-(dimethylamino)phenoxy]benzonitrile
CID 102818049

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile?
The IUPAC name of 3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile (CID 139818122) is 3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile.
What is the SMILES notation for 3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile?
The canonical SMILES for 3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile is N#Cc1cccc(Oc2ccc(CO)o2)c1.
What is the InChIKey of 3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile?
The InChIKey is RADZANGYUKSISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c13-7-9-2-1-3-10(6-9)15-12-5-4-11(8-14)16-12/h1-6,14H,8H2.
What are the key properties of 3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile?
3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile has a molecular weight of 215.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)furan-2-yl]oxybenzonitrile is sourced from PubChem (CID 139818122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).