[3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate

C20H25NO5 — CID 146460679

IUPAC[3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate
SMILESCCCOc1cc(-c2cncc(C(CO)COC(C)=O)c2)ccc1OC
InChIInChI=1S/C20H25NO5/c1-4-7-25-20-9-15(5-6-19(20)24-3)16-8-17(11-21-10-16)18(12-22)13-26-14(2)23/h5-6,8-11,18,22H,4,7,12-13H2,1-3H3
InChIKeyGOSHFXOIAMLRJU-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.18
Rot. Bonds9

About [3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate

[3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate (PubChem CID 146460679) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is [3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate.

Molecular Properties

Compound Name[3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate
PubChem CID146460679
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name[3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate
SMILESCCCOc1cc(-c2cncc(C(CO)COC(C)=O)c2)ccc1OC
InChIInChI=1S/C20H25NO5/c1-4-7-25-20-9-15(5-6-19(20)24-3)16-8-17(11-21-10-16)18(12-22)13-26-14(2)23/h5-6,8-11,18,22H,4,7,12-13H2,1-3H3
InChIKeyGOSHFXOIAMLRJU-UHFFFAOYSA-N
XLogP3.18
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate
CID 146460658
CID 175155956
CID 175155956
2-[[(4R)-2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]-1-oxa-2-boranuidacyclopent-2-yl]oxy]propan-1-ol
CID 153474615
3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine
CID 153474628
N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 18889979
[(2S)-3-hydroxy-2-(4-methoxyphenyl)propyl] acetate
CID 15668336
4-[[(4R)-2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]-1-oxa-2-boranuidacyclopent-2-yl]oxy]-2-methylpentan-2-ol
CID 153474619
carbamic acid;(3-hydroxy-2-phenylpropyl) acetate
CID 67572448
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
[(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane
CID 149129687
2-(4-methoxy-3-propoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82424454
3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid
CID 110447484

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate?
The IUPAC name of [3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate (CID 146460679) is [3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate.
What is the SMILES notation for [3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate?
The canonical SMILES for [3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate is CCCOc1cc(-c2cncc(C(CO)COC(C)=O)c2)ccc1OC.
What is the InChIKey of [3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate?
The InChIKey is GOSHFXOIAMLRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-4-7-25-20-9-15(5-6-19(20)24-3)16-8-17(11-21-10-16)18(12-22)13-26-14(2)23/h5-6,8-11,18,22H,4,7,12-13H2,1-3H3.
What are the key properties of [3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate?
[3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate has a molecular weight of 359.42 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate is sourced from PubChem (CID 146460679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).