2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one

C17H20N2O5 — CID 139682005

IUPAC2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)n1
InChIInChI=1S/C17H20N2O5/c1-22-15-7-8-16(21)19(18-15)17-9-13(14(10-20)24-17)23-11-12-5-3-2-4-6-12/h2-8,13-14,17,20H,9-11H2,1H3/t13-,14+,17+/m0/s1
InChIKeyFHVSXRRGSGGEHE-JJRVBVJISA-N
MW332.36 g/mol
LogP1.12
Rot. Bonds6

About 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one

2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one (PubChem CID 139682005) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one
PubChem CID139682005
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)n1
InChIInChI=1S/C17H20N2O5/c1-22-15-7-8-16(21)19(18-15)17-9-13(14(10-20)24-17)23-11-12-5-3-2-4-6-12/h2-8,13-14,17,20H,9-11H2,1H3/t13-,14+,17+/m0/s1
InChIKeyFHVSXRRGSGGEHE-JJRVBVJISA-N
XLogP1.12
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one with MolForge

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Related Compounds

[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
3-benzyl-1-[(2S,4R,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100910495
3-benzoyl-5-fluoro-1-[(2S,5S)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 57212411
[5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 76600599
[(3R,4S,6S)-5,6-dimethyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 90698925
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
4-methoxy-1-[(2R,4S,5S)-5-[(4-nitrophenyl)sulfanylmethyl]-4-phenylmethoxyoxolan-2-yl]pyrimidin-2-one
CID 11812697
(2R,4R,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]oxolan-2-ol
CID 171124705
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
1-[(2R,4S,5R)-5-(azidomethyl)-4-phenylmethoxyoxolan-2-yl]-4-methoxy-2H-pyrimidine
CID 139796796
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one (CID 139682005) is 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one is COc1ccc(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)n1.
What is the InChIKey of 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one?
The InChIKey is FHVSXRRGSGGEHE-JJRVBVJISA-N. The full InChI is InChI=1S/C17H20N2O5/c1-22-15-7-8-16(21)19(18-15)17-9-13(14(10-20)24-17)23-11-12-5-3-2-4-6-12/h2-8,13-14,17,20H,9-11H2,1H3/t13-,14+,17+/m0/s1.
What are the key properties of 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one?
2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one has a molecular weight of 332.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 139682005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).