ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol

C23H25NO5 — CID 167499413

IUPACethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol
SMILESCCOC(=O)CC.Oc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1
InChIInChI=1S/C18H15NO3.C5H10O2/c20-15-6-8-16(9-7-15)22-18-11-10-17(12-19-18)21-13-14-4-2-1-3-5-14;1-3-5(6)7-4-2/h1-12,20H,13H2;3-4H2,1-2H3
InChIKeyJXUAHNIMGLKBGQ-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.12
Rot. Bonds7

About ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol

ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol (PubChem CID 167499413) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol.

Molecular Properties

Compound Nameethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol
PubChem CID167499413
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Nameethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol
SMILESCCOC(=O)CC.Oc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1
InChIInChI=1S/C18H15NO3.C5H10O2/c20-15-6-8-16(9-7-15)22-18-11-10-17(12-19-18)21-13-14-4-2-1-3-5-14;1-3-5(6)7-4-2/h1-12,20H,13H2;3-4H2,1-2H3
InChIKeyJXUAHNIMGLKBGQ-UHFFFAOYSA-N
XLogP5.12
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447
acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate
CID 139794426
1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone
CID 162221142
(3-hydroxy-5-phenylmethoxyphenyl) propanoate
CID 174707426
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
ethyl acetate;4-methoxyphenol;1-methoxy-4-phenylmethoxybenzene;molecular iodine;4-phenylmethoxyphenol;hydroiodide
CID 158855139
ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate
CID 141184311
benzyl propanoate;hydrochloride
CID 140986165
5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine
CID 172879468
2-[[4-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]oxy]phenyl]methylidene]butanoic acid
CID 67327637

Frequently Asked Questions

What is the IUPAC name of ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol?
The IUPAC name of ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol (CID 167499413) is ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol.
What is the SMILES notation for ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol?
The canonical SMILES for ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol is CCOC(=O)CC.Oc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1.
What is the InChIKey of ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol?
The InChIKey is JXUAHNIMGLKBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3.C5H10O2/c20-15-6-8-16(9-7-15)22-18-11-10-17(12-19-18)21-13-14-4-2-1-3-5-14;1-3-5(6)7-4-2/h1-12,20H,13H2;3-4H2,1-2H3.
What are the key properties of ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol?
ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol has a molecular weight of 395.46 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol is sourced from PubChem (CID 167499413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).