1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone

C25H26O3Si — CID 15913766

IUPAC1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone
SMILESCOc1ccc(/C=C(\c2ccc(OC)cc2)[Si](C)(C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C25H26O3Si/c1-19(26)29(4,24-8-6-5-7-9-24)25(21-12-16-23(28-3)17-13-21)18-20-10-14-22(27-2)15-11-20/h5-18H,1-4H3/b25-18+
InChIKeyVNXAMYUCFGWPKJ-XIEYBQDHSA-N
MW402.57 g/mol
LogP4.90
Rot. Bonds7

About 1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone

1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone (PubChem CID 15913766) has the molecular formula C25H26O3Si and a molecular weight of 402.57 g/mol. Its IUPAC name is 1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone.

Molecular Properties

Compound Name1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone
PubChem CID15913766
Molecular FormulaC25H26O3Si
Molecular Weight402.57 g/mol
Exact Mass402.17
IUPAC Name1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone
SMILESCOc1ccc(/C=C(\c2ccc(OC)cc2)[Si](C)(C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C25H26O3Si/c1-19(26)29(4,24-8-6-5-7-9-24)25(21-12-16-23(28-3)17-13-21)18-20-10-14-22(27-2)15-11-20/h5-18H,1-4H3/b25-18+
InChIKeyVNXAMYUCFGWPKJ-XIEYBQDHSA-N
XLogP4.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-fluoro-1-(4-methoxyphenyl)ethenyl]-methyl-diphenylsilane
CID 134854120
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal
CID 71812647
4-methoxybenzoic acid;pyridine
CID 174860408
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone?
The IUPAC name of 1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone (CID 15913766) is 1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone.
What is the SMILES notation for 1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone?
The canonical SMILES for 1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone is COc1ccc(/C=C(\c2ccc(OC)cc2)[Si](C)(C(C)=O)c2ccccc2)cc1.
What is the InChIKey of 1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone?
The InChIKey is VNXAMYUCFGWPKJ-XIEYBQDHSA-N. The full InChI is InChI=1S/C25H26O3Si/c1-19(26)29(4,24-8-6-5-7-9-24)25(21-12-16-23(28-3)17-13-21)18-20-10-14-22(27-2)15-11-20/h5-18H,1-4H3/b25-18+.
What are the key properties of 1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone?
1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone has a molecular weight of 402.57 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-methyl-phenylsilyl]ethanone is sourced from PubChem (CID 15913766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).