4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one

C19H27NO5Si — CID 58580238

IUPAC4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(CO)cc2=O)ccc1OCOCC[Si](C)(C)C
InChIInChI=1S/C19H27NO5Si/c1-23-18-12-16(20-8-7-15(13-21)11-19(20)22)5-6-17(18)25-14-24-9-10-26(2,3)4/h5-8,11-12,21H,9-10,13-14H2,1-4H3
InChIKeyZREIGKMEKDVPLS-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.03
Rot. Bonds9

About 4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one

4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one (PubChem CID 58580238) has the molecular formula C19H27NO5Si and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one
PubChem CID58580238
Molecular FormulaC19H27NO5Si
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC Name4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one
SMILESCOc1cc(-n2ccc(CO)cc2=O)ccc1OCOCC[Si](C)(C)C
InChIInChI=1S/C19H27NO5Si/c1-23-18-12-16(20-8-7-15(13-21)11-19(20)22)5-6-17(18)25-14-24-9-10-26(2,3)4/h5-8,11-12,21H,9-10,13-14H2,1-4H3
InChIKeyZREIGKMEKDVPLS-UHFFFAOYSA-N
XLogP3.03
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 930850
Oxo-1-(3,4-dimethoxyphenyl)-1,2-dihydropyridine
CID 67869656
1-(Benzo[d][1,3]dioxol-5-yl)pyridin-2(1H)-one
CID 121293190
1-(6,7-Difluoro-1,3-benzodioxol-5-yl)-5-methylpyridin-2-one
CID 18439303
4-[(3-Fluorophenoxy)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 46910991
4-((4-fluorophenylthio)methyl)-1-(3-methoxy-4-((2-(trimethylsilyl)ethoxy)methoxy)phenyl)pyridin-2(1H)-one
CID 58580200
4-[(4-Fluorophenoxy)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580240
4-[(2-Fluorophenoxy)methyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580252
4-[(4-Fluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one
CID 89032993
4-[(2,4-Difluorophenoxy)methyl]-1-[4-(2-hydroxyprop-2-enoxy)-3-methoxyphenyl]pyridin-2-one
CID 89032995
[2-Methoxy-4-(4-methyl-2-oxo-1-pyridinyl)phenoxy] thiohypofluorite
CID 144052493
Methyl 1-(4-fluorosulfanyloxy-3-methoxyphenyl)-2-oxopyridine-4-carboxylate
CID 144052501

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one (CID 58580238) is 4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one is COc1cc(-n2ccc(CO)cc2=O)ccc1OCOCC[Si](C)(C)C.
What is the InChIKey of 4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one?
The InChIKey is ZREIGKMEKDVPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5Si/c1-23-18-12-16(20-8-7-15(13-21)11-19(20)22)5-6-17(18)25-14-24-9-10-26(2,3)4/h5-8,11-12,21H,9-10,13-14H2,1-4H3.
What are the key properties of 4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one?
4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one has a molecular weight of 377.51 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 58580238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).