(E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one

C18H19BrOSi — CID 153319984

IUPAC(E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one
SMILESC[Si](C)(C)c1ccccc1/C=C/C(=O)c1ccccc1Br
InChIInChI=1S/C18H19BrOSi/c1-21(2,3)18-11-7-4-8-14(18)12-13-17(20)15-9-5-6-10-16(15)19/h4-13H,1-3H3/b13-12+
InChIKeyCUOUDPYDJSBCSI-OUKQBFOZSA-N
MW359.34 g/mol
LogP4.89
Rot. Bonds4

About (E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one

(E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one (PubChem CID 153319984) has the molecular formula C18H19BrOSi and a molecular weight of 359.34 g/mol. Its IUPAC name is (E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one
PubChem CID153319984
Molecular FormulaC18H19BrOSi
Molecular Weight359.34 g/mol
Exact Mass358.04
IUPAC Name(E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one
SMILESC[Si](C)(C)c1ccccc1/C=C/C(=O)c1ccccc1Br
InChIInChI=1S/C18H19BrOSi/c1-21(2,3)18-11-7-4-8-14(18)12-13-17(20)15-9-5-6-10-16(15)19/h4-13H,1-3H3/b13-12+
InChIKeyCUOUDPYDJSBCSI-OUKQBFOZSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321
2-[3-(1,5-dimethylpyrazol-4-yl)-3-oxoprop-1-enyl]benzoic acid
CID 71833557
2-[2-(2-bromophenyl)ethenyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one (CID 153319984) is (E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one is C[Si](C)(C)c1ccccc1/C=C/C(=O)c1ccccc1Br.
What is the InChIKey of (E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one?
The InChIKey is CUOUDPYDJSBCSI-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H19BrOSi/c1-21(2,3)18-11-7-4-8-14(18)12-13-17(20)15-9-5-6-10-16(15)19/h4-13H,1-3H3/b13-12+.
What are the key properties of (E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one?
(E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one has a molecular weight of 359.34 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-bromophenyl)-3-(2-trimethylsilylphenyl)prop-2-en-1-one is sourced from PubChem (CID 153319984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).