[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate

C15H11O8P — CID 91573252

IUPAC[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)cc(OP(=O)(O)O)c12
InChIInChI=1S/C15H11O8P/c16-9-3-1-8(2-4-9)11-7-22-12-5-10(17)6-13(14(12)15(11)18)23-24(19,20)21/h1-7,16-17H,(H2,19,20,21)
InChIKeyGEOVLGYUKCZSEO-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.34
Rot. Bonds3

About [7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate

[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate (PubChem CID 91573252) has the molecular formula C15H11O8P and a molecular weight of 350.22 g/mol. Its IUPAC name is [7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate
PubChem CID91573252
Molecular FormulaC15H11O8P
Molecular Weight350.22 g/mol
Exact Mass350.02
IUPAC Name[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)cc(OP(=O)(O)O)c12
InChIInChI=1S/C15H11O8P/c16-9-3-1-8(2-4-9)11-7-22-12-5-10(17)6-13(14(12)15(11)18)23-24(19,20)21/h1-7,16-17H,(H2,19,20,21)
InChIKeyGEOVLGYUKCZSEO-UHFFFAOYSA-N
XLogP2.34
TPSA137.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 66722646
CID 66722646
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
7-hydroxy-3-(4-hydroxyphenyl)-5-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 69163428
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyoxane-2-carboxylic acid
CID 90925259
3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5398360
[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] (2S,3S,4S,5R)-3,4,5-trihydroxy-6-sulfooxyoxane-2-carboxylate
CID 87645467
7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 25061265
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;bis(pyridine-4-carboxamide)
CID 139061674
3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 90876444
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 131738913
(4S)-4-amino-5-[[(2S)-4-carboxy-1-[2-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxyethylamino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 24857308
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;pyridine-3-carboxamide;hydrate
CID 72544041

Frequently Asked Questions

What is the IUPAC name of [7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate?
The IUPAC name of [7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate (CID 91573252) is [7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate.
What is the SMILES notation for [7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate?
The canonical SMILES for [7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate is O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(OP(=O)(O)O)c12.
What is the InChIKey of [7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate?
The InChIKey is GEOVLGYUKCZSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11O8P/c16-9-3-1-8(2-4-9)11-7-22-12-5-10(17)6-13(14(12)15(11)18)23-24(19,20)21/h1-7,16-17H,(H2,19,20,21).
What are the key properties of [7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate?
[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate has a molecular weight of 350.22 g/mol, XLogP of 2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate is sourced from PubChem (CID 91573252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).