(3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one

C20H22O2Si — CID 102490296

IUPAC(3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one
SMILESCc1ccc2c(c1)C(=O)/C(=C(/c1ccccc1)[Si](C)(C)C)CO2
InChIInChI=1S/C20H22O2Si/c1-14-10-11-18-16(12-14)19(21)17(13-22-18)20(23(2,3)4)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3/b20-17-
InChIKeyGXYJNYALTYHRCF-JZJYNLBNSA-N
MW322.48 g/mol
LogP4.90
Rot. Bonds2

About (3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one

(3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one (PubChem CID 102490296) has the molecular formula C20H22O2Si and a molecular weight of 322.48 g/mol. Its IUPAC name is (3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name(3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one
PubChem CID102490296
Molecular FormulaC20H22O2Si
Molecular Weight322.48 g/mol
Exact Mass322.14
IUPAC Name(3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one
SMILESCc1ccc2c(c1)C(=O)/C(=C(/c1ccccc1)[Si](C)(C)C)CO2
InChIInChI=1S/C20H22O2Si/c1-14-10-11-18-16(12-14)19(21)17(13-22-18)20(23(2,3)4)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3/b20-17-
InChIKeyGXYJNYALTYHRCF-JZJYNLBNSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylaminomethylidene)-6-methylchromen-4-one
CID 68547419
5-methyl-1-benzofuran-2,3-dione
CID 56974146
(2Z)-2-[(2-hydroxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823576
6-methyl-3-(thiophen-2-ylmethylidene)chromen-4-one
CID 838795
3-benzhydrylidene-5-phenyl-1-benzofuran
CID 71697721
cyclohexane;5-methyl-2-benzofuran-1,3-dione
CID 88623758
(3Z)-3-[1-(furan-2-yl)ethylidene]chromen-4-one
CID 101386622
3-[2-hydroxy-1-(4-hydroxy-6-methyl-2H-chromen-3-yl)ethyl]-6-methyl-2H-chromen-4-ol
CID 143310074
3-hydroxy-6-methyl-2,3-dihydrochromen-4-one
CID 67687788
3H-2-benzofuran-1-one;benzoic acid;ethane
CID 161259561
(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 22551047
[(E)-(4,4-dimethyl-1,4-benzoxasilin-3-ylidene)-phenylmethyl]-trimethylsilane
CID 177454228

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one?
The IUPAC name of (3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one (CID 102490296) is (3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one.
What is the SMILES notation for (3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one?
The canonical SMILES for (3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one is Cc1ccc2c(c1)C(=O)/C(=C(/c1ccccc1)[Si](C)(C)C)CO2.
What is the InChIKey of (3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one?
The InChIKey is GXYJNYALTYHRCF-JZJYNLBNSA-N. The full InChI is InChI=1S/C20H22O2Si/c1-14-10-11-18-16(12-14)19(21)17(13-22-18)20(23(2,3)4)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3/b20-17-.
What are the key properties of (3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one?
(3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one has a molecular weight of 322.48 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methyl-3-[phenyl(trimethylsilyl)methylidene]chromen-4-one is sourced from PubChem (CID 102490296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).