CID 66722646

C15H10MgO5 — CID 66722646

IUPAC—
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12.[Mg]
InChIInChI=1S/C15H10O5.Mg/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;
InChIKeyULQZJDBYAPKCMU-UHFFFAOYSA-N
MW294.55 g/mol
LogP2.20
Rot. Bonds1

About CID 66722646

CID 66722646 (PubChem CID 66722646) has the molecular formula C15H10MgO5 and a molecular weight of 294.55 g/mol.

Molecular Properties

Compound NameCID 66722646
PubChem CID66722646
Molecular FormulaC15H10MgO5
Molecular Weight294.55 g/mol
Exact Mass294.04
IUPAC Name—
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12.[Mg]
InChIInChI=1S/C15H10O5.Mg/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;
InChIKeyULQZJDBYAPKCMU-UHFFFAOYSA-N
XLogP2.20
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
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 CID 66722646?
The IUPAC name of CID 66722646 (CID 66722646) is not available.
What is the SMILES notation for CID 66722646?
The canonical SMILES for CID 66722646 is O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12.[Mg].
What is the InChIKey of CID 66722646?
The InChIKey is ULQZJDBYAPKCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5.Mg/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;.
What are the key properties of CID 66722646?
CID 66722646 has a molecular weight of 294.55 g/mol, XLogP of 2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66722646 is sourced from PubChem (CID 66722646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).