diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate

C70H67IO18P2Si — CID 161214543

IUPACdiethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate
SMILESCCOP(=O)(OCC)Oc1ccc2c(-c3ccc(OC)cc3C)c3ccc(=O)cc-3oc2c1.COc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C)c1.COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OP(=O)(O)O)ccc23)c(C)c1.C[Si](C)(C)I
InChIInChI=1S/C25H25O7P.C21H17O7P.C21H16O4.C3H9ISi/c1-5-29-33(27,30-6-2)32-19-9-12-22-24(15-19)31-23-14-17(26)7-10-21(23)25(22)20-11-8-18(28-4)13-16(20)3;1-12-9-14(26-2)4-7-16(12)21-17-6-3-13(22)10-19(17)27-20-11-15(5-8-18(20)21)28-29(23,24)25;1-12-9-15(24-2)5-8-16(12)21-17-6-3-13(22)10-19(17)25-20-11-14(23)4-7-18(20)21;1-5(2,3)4/h7-15H,5-6H2,1-4H3;3-11H,1-2H3,(H2,23,24,25);3-11,22H,1-2H3;1-3H3
InChIKeyUWRIGSPGVLHLFQ-UHFFFAOYSA-N
MW1413.23 g/mol
LogP17.64
Rot. Bonds14

About diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate

diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate (PubChem CID 161214543) has the molecular formula C70H67IO18P2Si and a molecular weight of 1413.23 g/mol. Its IUPAC name is diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate.

Molecular Properties

Compound Namediethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate
PubChem CID161214543
Molecular FormulaC70H67IO18P2Si
Molecular Weight1413.23 g/mol
Exact Mass1412.26
IUPAC Namediethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate
SMILESCCOP(=O)(OCC)Oc1ccc2c(-c3ccc(OC)cc3C)c3ccc(=O)cc-3oc2c1.COc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C)c1.COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OP(=O)(O)O)ccc23)c(C)c1.C[Si](C)(C)I
InChIInChI=1S/C25H25O7P.C21H17O7P.C21H16O4.C3H9ISi/c1-5-29-33(27,30-6-2)32-19-9-12-22-24(15-19)31-23-14-17(26)7-10-21(23)25(22)20-11-8-18(28-4)13-16(20)3;1-12-9-14(26-2)4-7-16(12)21-17-6-3-13(22)10-19(17)27-20-11-15(5-8-18(20)21)28-29(23,24)25;1-12-9-15(24-2)5-8-16(12)21-17-6-3-13(22)10-19(17)25-20-11-14(23)4-7-18(20)21;1-5(2,3)4/h7-15H,5-6H2,1-4H3;3-11H,1-2H3,(H2,23,24,25);3-11,22H,1-2H3;1-3H3
InChIKeyUWRIGSPGVLHLFQ-UHFFFAOYSA-N
XLogP17.64
TPSA250.07 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001413.23
LogP ≤ 517.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate with MolForge

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Related Compounds

ethane;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one
CID 145310419
9-(4-methoxy-2-methylphenyl)-6-methylxanthen-3-one
CID 126579741
6-amino-9-(4-methoxy-2-methylphenyl)xanthen-3-one
CID 163631520
9-(2,4-dimethylphenyl)-6-hydroxyxanthen-3-one;ethane
CID 144831515
[hydroxy-[hydroxy-[hydroxy-[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl] [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] hydrogen phosphate
CID 158118124
ethyl 5-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate
CID 2907692
4-[3-(methoxymethoxy)-6-oxoxanthen-9-yl]-3-methylbenzoic acid
CID 102222982
diethyl (4-methyl-2-oxochromen-7-yl) phosphate
CID 13477
N-[[1-[2-[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenoxy]ethyl]triazol-4-yl]methyl]-3,5-dinitrobenzamide
CID 126579739
9-(5-tert-butyl-2-methylphenyl)-6-hydroxyxanthen-3-one
CID 58600096
9-[5-(2,2-dimethylpropanoyl)-2-methylphenyl]-6-hydroxyxanthen-3-one
CID 165002181
9-[2-[hydroxy(methoxy)methyl]phenyl]-6-methoxyxanthen-3-one
CID 142046036

Frequently Asked Questions

What is the IUPAC name of diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate?
The IUPAC name of diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate (CID 161214543) is diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate.
What is the SMILES notation for diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate?
The canonical SMILES for diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate is CCOP(=O)(OCC)Oc1ccc2c(-c3ccc(OC)cc3C)c3ccc(=O)cc-3oc2c1.COc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C)c1.COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OP(=O)(O)O)ccc23)c(C)c1.C[Si](C)(C)I.
What is the InChIKey of diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate?
The InChIKey is UWRIGSPGVLHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25O7P.C21H17O7P.C21H16O4.C3H9ISi/c1-5-29-33(27,30-6-2)32-19-9-12-22-24(15-19)31-23-14-17(26)7-10-21(23)25(22)20-11-8-18(28-4)13-16(20)3;1-12-9-14(26-2)4-7-16(12)21-17-6-3-13(22)10-19(17)27-20-11-15(5-8-18(20)21)28-29(23,24)25;1-12-9-15(24-2)5-8-16(12)21-17-6-3-13(22)10-19(17)25-20-11-14(23)4-7-18(20)21;1-5(2,3)4/h7-15H,5-6H2,1-4H3;3-11H,1-2H3,(H2,23,24,25);3-11,22H,1-2H3;1-3H3.
What are the key properties of diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate?
diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate has a molecular weight of 1413.23 g/mol, XLogP of 17.64, 14 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] phosphate;6-hydroxy-9-(4-methoxy-2-methylphenyl)xanthen-3-one;iodo(trimethyl)silane;[9-(4-methoxy-2-methylphenyl)-6-oxoxanthen-3-yl] dihydrogen phosphate is sourced from PubChem (CID 161214543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).