4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one

C34H42O10Si — CID 89415460

IUPAC4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc3c(OC)c(OC)c(OC)cc23)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H42O10Si/c1-34(2,3)45(11,12)44-23-15-19(13-14-22(23)36-4)27-21-18-26(39-7)31(41-9)32(42-10)29(21)43-33(35)28(27)20-16-24(37-5)30(40-8)25(17-20)38-6/h13-18H,1-12H3
InChIKeyGNKPDQZOJKXEEQ-UHFFFAOYSA-N
MW638.79 g/mol
LogP7.57
Rot. Bonds11

About 4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one

4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one (PubChem CID 89415460) has the molecular formula C34H42O10Si and a molecular weight of 638.79 g/mol. Its IUPAC name is 4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
PubChem CID89415460
Molecular FormulaC34H42O10Si
Molecular Weight638.79 g/mol
Exact Mass638.25
IUPAC Name4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc3c(OC)c(OC)c(OC)cc23)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H42O10Si/c1-34(2,3)45(11,12)44-23-15-19(13-14-22(23)36-4)27-21-18-26(39-7)31(41-9)32(42-10)29(21)43-33(35)28(27)20-16-24(37-5)30(40-8)25(17-20)38-6/h13-18H,1-12H3
InChIKeyGNKPDQZOJKXEEQ-UHFFFAOYSA-N
XLogP7.57
TPSA104.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.79
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one?
The IUPAC name of 4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one (CID 89415460) is 4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one.
What is the SMILES notation for 4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one?
The canonical SMILES for 4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one is COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc3c(OC)c(OC)c(OC)cc23)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one?
The InChIKey is GNKPDQZOJKXEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42O10Si/c1-34(2,3)45(11,12)44-23-15-19(13-14-22(23)36-4)27-21-18-26(39-7)31(41-9)32(42-10)29(21)43-33(35)28(27)20-16-24(37-5)30(40-8)25(17-20)38-6/h13-18H,1-12H3.
What are the key properties of 4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one?
4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one has a molecular weight of 638.79 g/mol, XLogP of 7.57, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-6,7,8-trimethoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one is sourced from PubChem (CID 89415460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).