calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride

C15H12CaO5 — CID 173012040

IUPACcalcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12.[Ca+2].[H-].[H-]
InChIInChI=1S/C15H10O5.Ca.2H/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;;;/h1-7,16-18H;;;/q;+2;2*-1
InChIKeyWGXDOMBIDNWUQJ-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.42
Rot. Bonds1

About calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride

calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride (PubChem CID 173012040) has the molecular formula C15H12CaO5 and a molecular weight of 312.33 g/mol. Its IUPAC name is calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride.

Molecular Properties

Compound Namecalcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
PubChem CID173012040
Molecular FormulaC15H12CaO5
Molecular Weight312.33 g/mol
Exact Mass312.03
IUPAC Namecalcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12.[Ca+2].[H-].[H-]
InChIInChI=1S/C15H10O5.Ca.2H/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;;;/h1-7,16-18H;;;/q;+2;2*-1
InChIKeyWGXDOMBIDNWUQJ-UHFFFAOYSA-N
XLogP2.42
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 66722646
CID 66722646
3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5398360
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
7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 25061265
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
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;pyridine-3-carboxamide;hydrate
CID 72544041
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 161247477
[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-yl] dihydrogen phosphate
CID 91573252
5,7-dihydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
CID 11013649
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 23729149
5,7-dihydroxy-3-pyridin-2-ylchromen-4-one
CID 5413046

Frequently Asked Questions

What is the IUPAC name of calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride?
The IUPAC name of calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride (CID 173012040) is calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride.
What is the SMILES notation for calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride?
The canonical SMILES for calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride is O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride?
The InChIKey is WGXDOMBIDNWUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5.Ca.2H/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;;;/h1-7,16-18H;;;/q;+2;2*-1.
What are the key properties of calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride?
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride has a molecular weight of 312.33 g/mol, XLogP of 2.42, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride is sourced from PubChem (CID 173012040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).