2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile

C19H18N2O — CID 24682305

IUPAC2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H18N2O/c20-13-17-3-1-2-4-18(17)14-21-11-9-16(10-12-21)15-5-7-19(22)8-6-15/h1-9,22H,10-12,14H2
InChIKeyQYGBITSXDDSNOV-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.55
Rot. Bonds3

About 2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile

2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile (PubChem CID 24682305) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile
PubChem CID24682305
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H18N2O/c20-13-17-3-1-2-4-18(17)14-21-11-9-16(10-12-21)15-5-7-19(22)8-6-15/h1-9,22H,10-12,14H2
InChIKeyQYGBITSXDDSNOV-UHFFFAOYSA-N
XLogP3.55
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile (CID 24682305) is 2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile?
The InChIKey is QYGBITSXDDSNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c20-13-17-3-1-2-4-18(17)14-21-11-9-16(10-12-21)15-5-7-19(22)8-6-15/h1-9,22H,10-12,14H2.
What are the key properties of 2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile?
2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 24682305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).