(Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one

C21H17NO2 — CID 101386160

IUPAC(Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C\c1ccccc1)C(O)c1ccccn1)c1ccccc1
InChIInChI=1S/C21H17NO2/c23-20(17-11-5-2-6-12-17)18(15-16-9-3-1-4-10-16)21(24)19-13-7-8-14-22-19/h1-15,21,24H/b18-15+
InChIKeyHKFRQIOWIQTFPA-OBGWFSINSA-N
MW315.37 g/mol
LogP4.08
Rot. Bonds5

About (Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one

(Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one (PubChem CID 101386160) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is (Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one
PubChem CID101386160
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name(Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C\c1ccccc1)C(O)c1ccccn1)c1ccccc1
InChIInChI=1S/C21H17NO2/c23-20(17-11-5-2-6-12-17)18(15-16-9-3-1-4-10-16)21(24)19-13-7-8-14-22-19/h1-15,21,24H/b18-15+
InChIKeyHKFRQIOWIQTFPA-OBGWFSINSA-N
XLogP4.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-hydroxy-3,3-dimethyl-1-pyridin-2-ylbutan-2-one
CID 166005900
2-hydroxy-N,N-diphenyl-2-pyridin-2-ylacetamide
CID 23727576
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)
CID 134096987
2,2-difluoro-3-hydroxy-1-phenyl-3-pyridin-2-ylpropan-1-one
CID 164672038
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate
CID 11780090
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-iodo-2-pyridin-2-ylacetic acid
CID 143887294
(Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one
CID 11476367
2-methyl-1-pyridin-2-ylbuta-2,3-dien-1-ol
CID 11084179
3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one (CID 101386160) is (Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one is O=C(/C(=C\c1ccccc1)C(O)c1ccccn1)c1ccccc1.
What is the InChIKey of (Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one?
The InChIKey is HKFRQIOWIQTFPA-OBGWFSINSA-N. The full InChI is InChI=1S/C21H17NO2/c23-20(17-11-5-2-6-12-17)18(15-16-9-3-1-4-10-16)21(24)19-13-7-8-14-22-19/h1-15,21,24H/b18-15+.
What are the key properties of (Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one?
(Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one has a molecular weight of 315.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[hydroxy(pyridin-2-yl)methyl]-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 101386160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).