1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile

C9H7NO2 — CID 154531997

IUPAC1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)COC2O
InChIInChI=1S/C9H7NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3,9,11H,5H2
InChIKeyFPARTMXSZUFRAD-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.08
Rot. Bonds

About 1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile

1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile (PubChem CID 154531997) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile
PubChem CID154531997
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile
SMILESN#Cc1ccc2c(c1)COC2O
InChIInChI=1S/C9H7NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3,9,11H,5H2
InChIKeyFPARTMXSZUFRAD-UHFFFAOYSA-N
XLogP1.08
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 40823010
(1R)-5-chloro-1,3-dihydro-2-benzofuran-1-ol
CID 86339091
1-ethyl-3,4-dihydro-1H-isochromene-6-carbonitrile
CID 91095644
1-methoxy-3,4-dihydro-1H-isochromene-6-carbonitrile
CID 154193215
N,N-dimethylpropan-1-amine;(1S)-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 143095230
1-(3-aminopropyl)-1,3-dihydro-2-benzofuran-5-carbonitrile;1-fluoro-4-methylbenzene
CID 142260812
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735
3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile
CID 102491716
1-hydroxy-3H-2,1-benzoxaborole-5-carbonitrile
CID 11845750
3-bromo-4-(oxetan-3-yl)benzonitrile
CID 130720957
5-cyano-2,3-dihydro-1H-isoindole-1-carboxylic acid
CID 130040280
8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 57278272

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile?
The IUPAC name of 1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile (CID 154531997) is 1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile.
What is the SMILES notation for 1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile?
The canonical SMILES for 1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile is N#Cc1ccc2c(c1)COC2O.
What is the InChIKey of 1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile?
The InChIKey is FPARTMXSZUFRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3,9,11H,5H2.
What are the key properties of 1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile?
1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile has a molecular weight of 161.16 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,3-dihydro-2-benzofuran-5-carbonitrile is sourced from PubChem (CID 154531997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).