4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile

C13H13NO2 — CID 114985464

IUPAC4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile
SMILESN#Cc1ccc(C(O)C2=CCCCO2)cc1
InChIInChI=1S/C13H13NO2/c14-9-10-4-6-11(7-5-10)13(15)12-3-1-2-8-16-12/h3-7,13,15H,1-2,8H2
InChIKeyOSGAJOVAIPANAJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.29
Rot. Bonds2

About 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile

4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile (PubChem CID 114985464) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile.

Molecular Properties

Compound Name4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile
PubChem CID114985464
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile
SMILESN#Cc1ccc(C(O)C2=CCCCO2)cc1
InChIInChI=1S/C13H13NO2/c14-9-10-4-6-11(7-5-10)13(15)12-3-1-2-8-16-12/h3-7,13,15H,1-2,8H2
InChIKeyOSGAJOVAIPANAJ-UHFFFAOYSA-N
XLogP2.29
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-1,5-benzodioxepin-7-yl(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646519
4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile;ethane
CID 143811392
2,3-dihydrofuran-5-yl(phenyl)methanol
CID 102650514
4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
CID 125469519
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
CID 103456632
4-[2-(cyclohexen-1-yl)-1-hydroxyethyl]benzonitrile
CID 10900362
2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649829
(6-chloro-3-pyridinyl)-(2,3-dihydrofuran-5-yl)methanol
CID 102654800
(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102654858
6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-pyran
CID 24744561
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 102654733

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile?
The IUPAC name of 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile (CID 114985464) is 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile.
What is the SMILES notation for 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile?
The canonical SMILES for 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile is N#Cc1ccc(C(O)C2=CCCCO2)cc1.
What is the InChIKey of 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile?
The InChIKey is OSGAJOVAIPANAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c14-9-10-4-6-11(7-5-10)13(15)12-3-1-2-8-16-12/h3-7,13,15H,1-2,8H2.
What are the key properties of 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile?
4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile has a molecular weight of 215.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile is sourced from PubChem (CID 114985464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).