2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one

C27H42O6Si4 — CID 529518

IUPAC2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one
SMILESC[Si](C)(C)Oc1ccc2c(=O)c(O[Si](C)(C)C)c(-c3ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3)oc2c1
InChIInChI=1S/C27H42O6Si4/c1-34(2,3)30-20-14-15-21-23(18-20)29-26(27(25(21)28)33-37(10,11)12)19-13-16-22(31-35(4,5)6)24(17-19)32-36(7,8)9/h13-18H,1-12H3
InChIKeyLZIQFUABPZZTFQ-UHFFFAOYSA-N
MW574.97 g/mol
LogP8.31
Rot. Bonds9

About 2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one

2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one (PubChem CID 529518) has the molecular formula C27H42O6Si4 and a molecular weight of 574.97 g/mol. Its IUPAC name is 2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one.

Molecular Properties

Compound Name2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one
PubChem CID529518
Molecular FormulaC27H42O6Si4
Molecular Weight574.97 g/mol
Exact Mass574.21
IUPAC Name2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one
SMILESC[Si](C)(C)Oc1ccc2c(=O)c(O[Si](C)(C)C)c(-c3ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3)oc2c1
InChIInChI=1S/C27H42O6Si4/c1-34(2,3)30-20-14-15-21-23(18-20)29-26(27(25(21)28)33-37(10,11)12)19-13-16-22(31-35(4,5)6)24(17-19)32-36(7,8)9/h13-18H,1-12H3
InChIKeyLZIQFUABPZZTFQ-UHFFFAOYSA-N
XLogP8.31
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.97
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,7-bis(trimethylsilyloxy)chromen-2-one
CID 90256258
3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528819
6,7,16,17-tetrakis(trimethylsilyloxy)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 554029
2-(3,4-dimethoxyphenyl)-3-hydroxy-7-(3-methylbut-1-enoxy)chromen-4-one
CID 156774994
3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 10807373
methyl 2-[2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 5172607
3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
CID 89479658
3-(4-bromobutoxy)-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 171061266
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704
[3-acetyloxy-2-(3,4-diethoxyphenyl)-1-benzofuran-6-yl] acetate
CID 171378437
3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528412

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one?
The IUPAC name of 2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one (CID 529518) is 2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one.
What is the SMILES notation for 2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one?
The canonical SMILES for 2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one is C[Si](C)(C)Oc1ccc2c(=O)c(O[Si](C)(C)C)c(-c3ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c3)oc2c1.
What is the InChIKey of 2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one?
The InChIKey is LZIQFUABPZZTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O6Si4/c1-34(2,3)30-20-14-15-21-23(18-20)29-26(27(25(21)28)33-37(10,11)12)19-13-16-22(31-35(4,5)6)24(17-19)32-36(7,8)9/h13-18H,1-12H3.
What are the key properties of 2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one?
2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one has a molecular weight of 574.97 g/mol, XLogP of 8.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trimethylsilyloxy)phenyl]-3,7-bis(trimethylsilyloxy)chromen-4-one is sourced from PubChem (CID 529518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).