3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid

C13H18O4Si — CID 71444927

IUPAC3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=CC(=O)O)ccc1O[Si](C)(C)C
InChIInChI=1S/C13H18O4Si/c1-16-12-9-10(6-8-13(14)15)5-7-11(12)17-18(2,3)4/h5-9H,1-4H3,(H,14,15)
InChIKeyRRETWDLDTUWVJT-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.01
Rot. Bonds5

About 3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid

3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid (PubChem CID 71444927) has the molecular formula C13H18O4Si and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid
PubChem CID71444927
Molecular FormulaC13H18O4Si
Molecular Weight266.37 g/mol
Exact Mass266.10
IUPAC Name3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid
SMILESCOc1cc(C=CC(=O)O)ccc1O[Si](C)(C)C
InChIInChI=1S/C13H18O4Si/c1-16-12-9-10(6-8-13(14)15)5-7-11(12)17-18(2,3)4/h5-9H,1-4H3,(H,14,15)
InChIKeyRRETWDLDTUWVJT-UHFFFAOYSA-N
XLogP3.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(E)-3-(3-methoxy-4-sulfanyloxyphenyl)prop-2-enoic acid
CID 145055482
chloro(methyl)mercury;3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 67566046
(E)-3-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoic acid
CID 146640129
(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid;ethane;2-methylpropan-2-ol
CID 142376812
5-[(E)-2-carboxyethenyl]-2-methoxyphenolate
CID 54706233
(E)-3-[4-(fluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 168908115
3-(3-methoxy-4-phosphonooxyphenyl)prop-2-enoic acid
CID 67184403
(Z)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 2341134
3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid
CID 172757581
3-(3-methoxy-4-nitrooxyphenyl)prop-2-enoic acid
CID 123996888
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
3-(4-acetyl-3-methoxyphenyl)prop-2-enoic acid
CID 141209631

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid?
The IUPAC name of 3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid (CID 71444927) is 3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid is COc1cc(C=CC(=O)O)ccc1O[Si](C)(C)C.
What is the InChIKey of 3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid?
The InChIKey is RRETWDLDTUWVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4Si/c1-16-12-9-10(6-8-13(14)15)5-7-11(12)17-18(2,3)4/h5-9H,1-4H3,(H,14,15).
What are the key properties of 3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid?
3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid has a molecular weight of 266.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 71444927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).