5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one

C15H16O7 — CID 163153591

IUPAC5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one
SMILESO=C1CC(CO)C(C2(CO)CC(=O)c3c(O)cccc3O2)O1
InChIInChI=1S/C15H16O7/c16-6-8-4-12(20)21-14(8)15(7-17)5-10(19)13-9(18)2-1-3-11(13)22-15/h1-3,8,14,16-18H,4-7H2
InChIKeyOGMRIRZMHVEYTP-UHFFFAOYSA-N
MW308.29 g/mol
LogP0.01
Rot. Bonds3

About 5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one

5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one (PubChem CID 163153591) has the molecular formula C15H16O7 and a molecular weight of 308.29 g/mol. Its IUPAC name is 5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one
PubChem CID163153591
Molecular FormulaC15H16O7
Molecular Weight308.29 g/mol
Exact Mass308.09
IUPAC Name5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one
SMILESO=C1CC(CO)C(C2(CO)CC(=O)c3c(O)cccc3O2)O1
InChIInChI=1S/C15H16O7/c16-6-8-4-12(20)21-14(8)15(7-17)5-10(19)13-9(18)2-1-3-11(13)22-15/h1-3,8,14,16-18H,4-7H2
InChIKeyOGMRIRZMHVEYTP-UHFFFAOYSA-N
XLogP0.01
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-5-hydroxy-6-[(2R)-5-hydroxy-2-(hydroxymethyl)-2-[(2S,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-6-yl]-2-(hydroxymethyl)-2-[(2S,3S)-3-methyl-5-oxooxolan-2-yl]-3H-chromen-4-one
CID 162946122
(2S)-5-hydroxy-6-[(2S)-5-hydroxy-2-(hydroxymethyl)-2-[(2S,3S)-3-methyl-5-oxooxolan-2-yl]-4-oxo-3H-chromen-8-yl]-2-(hydroxymethyl)-2-[(2S,3S)-3-methyl-5-oxooxolan-2-yl]-3H-chromen-4-one
CID 73293668
5-hydroxyspiro[3H-chromene-2,3'-oxetane]-4-one
CID 71309762
3'-(hydroxymethyl)-4-methoxy-3'-(3-methyl-5-oxooxolan-2-yl)spiro[1-benzofuran-2,2'-oxirane]-3-one
CID 56657459
2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
CID 171343097
4-hydroxy-17-propyl-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3(8),4,6-triene-2,9,13-trione
CID 85057577
4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 14494068
2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
CID 53461819
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
3,8-dihydroxyspiro[2,3-dihydronaphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
CID 72771785
5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122581168

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one?
The IUPAC name of 5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one (CID 163153591) is 5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one?
The canonical SMILES for 5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one is O=C1CC(CO)C(C2(CO)CC(=O)c3c(O)cccc3O2)O1.
What is the InChIKey of 5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one?
The InChIKey is OGMRIRZMHVEYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O7/c16-6-8-4-12(20)21-14(8)15(7-17)5-10(19)13-9(18)2-1-3-11(13)22-15/h1-3,8,14,16-18H,4-7H2.
What are the key properties of 5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one?
5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one has a molecular weight of 308.29 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(hydroxymethyl)-2-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-3H-chromen-4-one is sourced from PubChem (CID 163153591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).