methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate

C19H21NO5 — CID 54343261

IUPACmethyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate
SMILESCOC(=O)CCc1nc(CCc2ccc(C(=O)OC)cc2)ccc1O
InChIInChI=1S/C19H21NO5/c1-24-18(22)12-10-16-17(21)11-9-15(20-16)8-5-13-3-6-14(7-4-13)19(23)25-2/h3-4,6-7,9,11,21H,5,8,10,12H2,1-2H3
InChIKeyUAMCOIYLVYKNFK-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.46
Rot. Bonds7

About methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate

methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate (PubChem CID 54343261) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate
PubChem CID54343261
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate
SMILESCOC(=O)CCc1nc(CCc2ccc(C(=O)OC)cc2)ccc1O
InChIInChI=1S/C19H21NO5/c1-24-18(22)12-10-16-17(21)11-9-15(20-16)8-5-13-3-6-14(7-4-13)19(23)25-2/h3-4,6-7,9,11,21H,5,8,10,12H2,1-2H3
InChIKeyUAMCOIYLVYKNFK-UHFFFAOYSA-N
XLogP2.46
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate with MolForge

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Related Compounds

methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
methyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 59163123
tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate
CID 10422914
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 4-[3-(4-chlorophenyl)propanoyloxy]benzoate
CID 19221018
methyl 4-[2-[6-[2-(3,5-dimethoxyphenyl)ethyl]pyrazin-2-yl]ethyl]benzoate
CID 175639771
5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
CID 71253118
methyl 6-(5-hydroxy-6-methyl-2-pyridinyl)hexanoate
CID 14312862
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672
methyl 3-[4-[4-[2-[4-[4-(3-methoxy-3-oxopropyl)-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]ethyl]-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate
CID 71277676

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate (CID 54343261) is methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate is COC(=O)CCc1nc(CCc2ccc(C(=O)OC)cc2)ccc1O.
What is the InChIKey of methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate?
The InChIKey is UAMCOIYLVYKNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-24-18(22)12-10-16-17(21)11-9-15(20-16)8-5-13-3-6-14(7-4-13)19(23)25-2/h3-4,6-7,9,11,21H,5,8,10,12H2,1-2H3.
What are the key properties of methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate?
methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate has a molecular weight of 343.38 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate is sourced from PubChem (CID 54343261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).