methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate

C19H23NO5 — CID 146460658

IUPACmethyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate
SMILESCCCOc1cc(-c2cncc(C(CO)C(=O)OC)c2)ccc1OC
InChIInChI=1S/C19H23NO5/c1-4-7-25-18-9-13(5-6-17(18)23-2)14-8-15(11-20-10-14)16(12-21)19(22)24-3/h5-6,8-11,16,21H,4,7,12H2,1-3H3
InChIKeyIDFJEGMYOFSNRT-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.79
Rot. Bonds8

About methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate

methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate (PubChem CID 146460658) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate
PubChem CID146460658
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namemethyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate
SMILESCCCOc1cc(-c2cncc(C(CO)C(=O)OC)c2)ccc1OC
InChIInChI=1S/C19H23NO5/c1-4-7-25-18-9-13(5-6-17(18)23-2)14-8-15(11-20-10-14)16(12-21)19(22)24-3/h5-6,8-11,16,21H,4,7,12H2,1-3H3
InChIKeyIDFJEGMYOFSNRT-UHFFFAOYSA-N
XLogP2.79
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate
CID 146460679
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
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 18889979
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
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
2-(4-aminophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 83953929
[(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 methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate (CID 146460658) is methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate is CCCOc1cc(-c2cncc(C(CO)C(=O)OC)c2)ccc1OC.
What is the InChIKey of methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate?
The InChIKey is IDFJEGMYOFSNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-4-7-25-18-9-13(5-6-17(18)23-2)14-8-15(11-20-10-14)16(12-21)19(22)24-3/h5-6,8-11,16,21H,4,7,12H2,1-3H3.
What are the key properties of methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate?
methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate has a molecular weight of 345.40 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate is sourced from PubChem (CID 146460658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).