3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one

C36H32O8Si — CID 163504792

IUPAC3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2cc(-c3ccc([Si](C)(C)c4ccc(-c5cc6c(OC)cc(OC)cc6oc5=O)cc4)cc3)c(=O)oc2c1
InChIInChI=1S/C36H32O8Si/c1-39-23-15-31(41-3)29-19-27(35(37)43-33(29)17-23)21-7-11-25(12-8-21)45(5,6)26-13-9-22(10-14-26)28-20-30-32(42-4)16-24(40-2)18-34(30)44-36(28)38/h7-20H,1-6H3
InChIKeyCXRLENYSMZBZHD-UHFFFAOYSA-N
MW620.73 g/mol
LogP6.09
Rot. Bonds8

About 3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one

3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one (PubChem CID 163504792) has the molecular formula C36H32O8Si and a molecular weight of 620.73 g/mol. Its IUPAC name is 3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one
PubChem CID163504792
Molecular FormulaC36H32O8Si
Molecular Weight620.73 g/mol
Exact Mass620.19
IUPAC Name3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2cc(-c3ccc([Si](C)(C)c4ccc(-c5cc6c(OC)cc(OC)cc6oc5=O)cc4)cc3)c(=O)oc2c1
InChIInChI=1S/C36H32O8Si/c1-39-23-15-31(41-3)29-19-27(35(37)43-33(29)17-23)21-7-11-25(12-8-21)45(5,6)26-13-9-22(10-14-26)28-20-30-32(42-4)16-24(40-2)18-34(30)44-36(28)38/h7-20H,1-6H3
InChIKeyCXRLENYSMZBZHD-UHFFFAOYSA-N
XLogP6.09
TPSA97.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.73
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
3-(5,7-dimethoxy-2-oxochromen-3-yl)-7-fluoro-1-methylquinolin-2-one
CID 177425154
7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 155816497
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
5,7,8-trimethoxy-3-phenylchromen-2-one
CID 134912099
4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
CID 631155
5,7-dimethoxy-N-(4-methylphenyl)-2-oxochromene-3-carboxamide
CID 11089072
[3-(4-methoxyphenyl)-2-oxochromen-7-yl] trifluoromethanesulfonate
CID 86657006
6,8-dimethoxy-2-sulfanylidenechromeno[2,3-d]pyrimidin-4-one
CID 129279523
5-(4-hydroxyphenyl)-3-(4-methoxyphenyl)chromen-2-one
CID 95401069
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
5,7-dimethoxy-3-[(E)-3-methoxy-3-phenylprop-2-enoyl]chromen-2-one
CID 173186263

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one?
The IUPAC name of 3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one (CID 163504792) is 3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one.
What is the SMILES notation for 3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one?
The canonical SMILES for 3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one is COc1cc(OC)c2cc(-c3ccc([Si](C)(C)c4ccc(-c5cc6c(OC)cc(OC)cc6oc5=O)cc4)cc3)c(=O)oc2c1.
What is the InChIKey of 3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one?
The InChIKey is CXRLENYSMZBZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32O8Si/c1-39-23-15-31(41-3)29-19-27(35(37)43-33(29)17-23)21-7-11-25(12-8-21)45(5,6)26-13-9-22(10-14-26)28-20-30-32(42-4)16-24(40-2)18-34(30)44-36(28)38/h7-20H,1-6H3.
What are the key properties of 3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one?
3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one has a molecular weight of 620.73 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(5,7-dimethoxy-2-oxochromen-3-yl)phenyl]-dimethylsilyl]phenyl]-5,7-dimethoxychromen-2-one is sourced from PubChem (CID 163504792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).