1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one

C19H19NO5S — CID 59563373

IUPAC1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one
SMILESCc1ccc(Oc2ccc(S(O)(O)Cn3cccc(O)c3=O)cc2)cc1
InChIInChI=1S/C19H19NO5S/c1-14-4-6-15(7-5-14)25-16-8-10-17(11-9-16)26(23,24)13-20-12-2-3-18(21)19(20)22/h2-12,21,23-24H,13H2,1H3
InChIKeyKMRZUVUOJVRFMV-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.42
Rot. Bonds5

About 1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one

1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one (PubChem CID 59563373) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one
PubChem CID59563373
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one
SMILESCc1ccc(Oc2ccc(S(O)(O)Cn3cccc(O)c3=O)cc2)cc1
InChIInChI=1S/C19H19NO5S/c1-14-4-6-15(7-5-14)25-16-8-10-17(11-9-16)26(23,24)13-20-12-2-3-18(21)19(20)22/h2-12,21,23-24H,13H2,1H3
InChIKeyKMRZUVUOJVRFMV-UHFFFAOYSA-N
XLogP4.42
TPSA91.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one
CID 68510398
methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane
CID 142802622
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
3-hydroxy-1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfinylmethyl]pyridin-2-one
CID 143656673
tris(butane-1-sulfonic acid);1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene
CID 90698059
2-(3-hydroxy-2-oxo-1-pyridinyl)-N-methylacetamide
CID 13336732
3-hydroxy-1-[5-(3-hydroxy-2-oxo-1-pyridinyl)-3,3-bis(methoxymethyl)pentyl]pyridin-2-one
CID 59537194
3-amino-4-(4-methylphenoxy)benzenesulfonic acid
CID 141233792
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791

Frequently Asked Questions

What is the IUPAC name of 1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one?
The IUPAC name of 1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one (CID 59563373) is 1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one.
What is the SMILES notation for 1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one?
The canonical SMILES for 1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one is Cc1ccc(Oc2ccc(S(O)(O)Cn3cccc(O)c3=O)cc2)cc1.
What is the InChIKey of 1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one?
The InChIKey is KMRZUVUOJVRFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-14-4-6-15(7-5-14)25-16-8-10-17(11-9-16)26(23,24)13-20-12-2-3-18(21)19(20)22/h2-12,21,23-24H,13H2,1H3.
What are the key properties of 1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one?
1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one has a molecular weight of 373.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[dihydroxy-[4-(4-methylphenoxy)phenyl]-λ4-sulfanyl]methyl]-3-hydroxypyridin-2-one is sourced from PubChem (CID 59563373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).