3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one

C21H26O5Si2 — CID 528412

IUPAC3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
SMILESC[Si](C)(C)Oc1cc(O[Si](C)(C)C)c2c(=O)c(O)c(-c3ccccc3)oc2c1
InChIInChI=1S/C21H26O5Si2/c1-27(2,3)25-15-12-16-18(17(13-15)26-28(4,5)6)19(22)20(23)21(24-16)14-10-8-7-9-11-14/h7-13,23H,1-6H3
InChIKeyXEBOPEAAOAXVHM-UHFFFAOYSA-N
MW414.61 g/mol
LogP5.59
Rot. Bonds5

About 3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one

3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one (PubChem CID 528412) has the molecular formula C21H26O5Si2 and a molecular weight of 414.61 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
PubChem CID528412
Molecular FormulaC21H26O5Si2
Molecular Weight414.61 g/mol
Exact Mass414.13
IUPAC Name3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
SMILESC[Si](C)(C)Oc1cc(O[Si](C)(C)C)c2c(=O)c(O)c(-c3ccccc3)oc2c1
InChIInChI=1S/C21H26O5Si2/c1-27(2,3)25-15-12-16-18(17(13-15)26-28(4,5)6)19(22)20(23)21(24-16)14-10-8-7-9-11-14/h7-13,23H,1-6H3
InChIKeyXEBOPEAAOAXVHM-UHFFFAOYSA-N
XLogP5.59
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.61
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528819
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid
CID 169002902
7-bromo-3,5-dihydroxy-6-iodo-2-phenylchromen-4-one
CID 70417264
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-hydroxy-5,7-bis(2-hydroxyethoxy)chromen-4-one
CID 171380544
8-hydroxy-7-phenylfuro[3,2-f]chromen-9-one
CID 4304691
3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one
CID 168878132
N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide
CID 141231274

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one?
The IUPAC name of 3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one (CID 528412) is 3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one?
The canonical SMILES for 3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one is C[Si](C)(C)Oc1cc(O[Si](C)(C)C)c2c(=O)c(O)c(-c3ccccc3)oc2c1.
What is the InChIKey of 3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one?
The InChIKey is XEBOPEAAOAXVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5Si2/c1-27(2,3)25-15-12-16-18(17(13-15)26-28(4,5)6)19(22)20(23)21(24-16)14-10-8-7-9-11-14/h7-13,23H,1-6H3.
What are the key properties of 3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one?
3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one has a molecular weight of 414.61 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one is sourced from PubChem (CID 528412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).