[3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane

C19H22OSi — CID 11011866

IUPAC[3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane
SMILESCOc1ccccc1C(C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C19H22OSi/c1-20-19-13-9-8-12-18(19)17(14-15-21(2,3)4)16-10-6-5-7-11-16/h5-13,17H,1-4H3
InChIKeyMWRYZTZCXSJBNC-UHFFFAOYSA-N
MW294.47 g/mol
LogP4.71
Rot. Bonds3

About [3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane

[3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane (PubChem CID 11011866) has the molecular formula C19H22OSi and a molecular weight of 294.47 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane
PubChem CID11011866
Molecular FormulaC19H22OSi
Molecular Weight294.47 g/mol
Exact Mass294.14
IUPAC Name[3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane
SMILESCOc1ccccc1C(C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C19H22OSi/c1-20-19-13-9-8-12-18(19)17(14-15-21(2,3)4)16-10-6-5-7-11-16/h5-13,17H,1-4H3
InChIKeyMWRYZTZCXSJBNC-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
O-[(2-methoxyphenyl)-phenylmethyl]hydroxylamine
CID 155511362
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
3-(2-methoxyphenyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
CID 15466235
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
3-(2-methoxyphenyl)prop-1-ynyl-trimethylsilane
CID 101398032
2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile
CID 16736122
2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile
CID 10704351
1-(3-methoxyphenyl)-3-trimethylsilylprop-2-yn-1-ol
CID 15531429
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane?
The IUPAC name of [3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane (CID 11011866) is [3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane.
What is the SMILES notation for [3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane?
The canonical SMILES for [3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane is COc1ccccc1C(C#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of [3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane?
The InChIKey is MWRYZTZCXSJBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OSi/c1-20-19-13-9-8-12-18(19)17(14-15-21(2,3)4)16-10-6-5-7-11-16/h5-13,17H,1-4H3.
What are the key properties of [3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane?
[3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane has a molecular weight of 294.47 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-3-phenylprop-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11011866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).