2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone

C16H17NO3 — CID 103458173

IUPAC2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone
SMILESCCCOc1cncc(C(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-2-8-20-14-9-13(10-17-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-7,9-11,15,18H,2,8H2,1H3
InChIKeyMDNZQPRTDLQDGH-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.79
Rot. Bonds6

About 2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone

2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone (PubChem CID 103458173) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone
PubChem CID103458173
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone
SMILESCCCOc1cncc(C(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-2-8-20-14-9-13(10-17-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-7,9-11,15,18H,2,8H2,1H3
InChIKeyMDNZQPRTDLQDGH-UHFFFAOYSA-N
XLogP2.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
5-butoxypyridine-3-carboxylic acid
CID 63851154
2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116680587
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222
5-hexoxypyridine-3-carboxylic acid
CID 63850317
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(3-amino-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 116613749

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone (CID 103458173) is 2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone is CCCOc1cncc(C(=O)C(O)c2ccccc2)c1.
What is the InChIKey of 2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone?
The InChIKey is MDNZQPRTDLQDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-8-20-14-9-13(10-17-11-14)16(19)15(18)12-6-4-3-5-7-12/h3-7,9-11,15,18H,2,8H2,1H3.
What are the key properties of 2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone?
2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone has a molecular weight of 271.32 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 103458173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).