methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate

C20H22O5Si — CID 67558861

IUPACmethyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(C(O)=CC(=O)c2cc([Si](C)(C)C)ccc2O)cc1
InChIInChI=1S/C20H22O5Si/c1-25-20(24)14-7-5-13(6-8-14)18(22)12-19(23)16-11-15(26(2,3)4)9-10-17(16)21/h5-12,21-22H,1-4H3
InChIKeyGKPHMMXJXOXBMI-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.51
Rot. Bonds5

About methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate

methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate (PubChem CID 67558861) has the molecular formula C20H22O5Si and a molecular weight of 370.48 g/mol. Its IUPAC name is methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate
PubChem CID67558861
Molecular FormulaC20H22O5Si
Molecular Weight370.48 g/mol
Exact Mass370.12
IUPAC Namemethyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(C(O)=CC(=O)c2cc([Si](C)(C)C)ccc2O)cc1
InChIInChI=1S/C20H22O5Si/c1-25-20(24)14-7-5-13(6-8-14)18(22)12-19(23)16-11-15(26(2,3)4)9-10-17(16)21/h5-12,21-22H,1-4H3
InChIKeyGKPHMMXJXOXBMI-UHFFFAOYSA-N
XLogP3.51
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate with MolForge

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Related Compounds

4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate
CID 15037561
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoate
CID 11565405
methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate
CID 124635200
methyl 4-hydroxy-3-(5-phenylpenta-2,4-dienoyl)benzoate
CID 88788727
(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25243927
methyl 4-[(3-formyl-4-hydroxyphenyl)diazenyl]benzoate
CID 136794481
methyl 4-[2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 68977211
[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium
CID 169143867
methyl 4-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]benzoate
CID 5468975
methyl 3-methyl-4-(3-methylbut-2-enoyl)benzoate
CID 146011221
4-[(Z)-1-hydroxy-3-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid
CID 6440834

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate?
The IUPAC name of methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate (CID 67558861) is methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate.
What is the SMILES notation for methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate?
The canonical SMILES for methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate is COC(=O)c1ccc(C(O)=CC(=O)c2cc([Si](C)(C)C)ccc2O)cc1.
What is the InChIKey of methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate?
The InChIKey is GKPHMMXJXOXBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5Si/c1-25-20(24)14-7-5-13(6-8-14)18(22)12-19(23)16-11-15(26(2,3)4)9-10-17(16)21/h5-12,21-22H,1-4H3.
What are the key properties of methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate?
methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate has a molecular weight of 370.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-hydroxy-3-(2-hydroxy-5-trimethylsilylphenyl)-3-oxoprop-1-enyl]benzoate is sourced from PubChem (CID 67558861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).