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

C22H28O5Si2 — CID 528819

IUPAC3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
SMILESCOc1c(-c2ccccc2)oc2cc(O[Si](C)(C)C)cc(O[Si](C)(C)C)c2c1=O
InChIInChI=1S/C22H28O5Si2/c1-24-22-20(23)19-17(25-21(22)15-11-9-8-10-12-15)13-16(26-28(2,3)4)14-18(19)27-29(5,6)7/h8-14H,1-7H3
InChIKeyCBJNUHFMFBPGCP-UHFFFAOYSA-N
MW428.63 g/mol
LogP5.90
Rot. Bonds6

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

3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one (PubChem CID 528819) has the molecular formula C22H28O5Si2 and a molecular weight of 428.63 g/mol. Its IUPAC name is 3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one.

Molecular Properties

Compound Name3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
PubChem CID528819
Molecular FormulaC22H28O5Si2
Molecular Weight428.63 g/mol
Exact Mass428.15
IUPAC Name3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
SMILESCOc1c(-c2ccccc2)oc2cc(O[Si](C)(C)C)cc(O[Si](C)(C)C)c2c1=O
InChIInChI=1S/C22H28O5Si2/c1-24-22-20(23)19-17(25-21(22)15-11-9-8-10-12-15)13-16(26-28(2,3)4)14-18(19)27-29(5,6)7/h8-14H,1-7H3
InChIKeyCBJNUHFMFBPGCP-UHFFFAOYSA-N
XLogP5.90
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.63
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528412
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
(5,6,7-trimethoxy-4-oxo-2-phenylchromen-3-yl) hydrogen carbonate
CID 70411870
3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one
CID 102393062
3,5-dimethoxy-7-(3-methyl-2-oxobut-3-enyl)-2-phenylchromen-4-one
CID 175316311
5-hydroxy-3-methoxy-7-phenylmethoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]chromen-4-one
CID 142688399
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
CID 59838501
5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one
CID 102256311
[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
CID 46702115
5-hydroxy-3-methoxy-2-phenyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 74977993
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one?
The IUPAC name of 3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one (CID 528819) is 3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one.
What is the SMILES notation for 3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one?
The canonical SMILES for 3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one is COc1c(-c2ccccc2)oc2cc(O[Si](C)(C)C)cc(O[Si](C)(C)C)c2c1=O.
What is the InChIKey of 3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one?
The InChIKey is CBJNUHFMFBPGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O5Si2/c1-24-22-20(23)19-17(25-21(22)15-11-9-8-10-12-15)13-16(26-28(2,3)4)14-18(19)27-29(5,6)7/h8-14H,1-7H3.
What are the key properties of 3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one?
3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one has a molecular weight of 428.63 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one is sourced from PubChem (CID 528819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).