(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate

C18H22O6Si — CID 100957753

IUPAC(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate
SMILESCOc1ccc(OC(=O)c2ccc(OCCC[Si](C)(O)O)cc2)cc1
InChIInChI=1S/C18H22O6Si/c1-22-15-8-10-17(11-9-15)24-18(19)14-4-6-16(7-5-14)23-12-3-13-25(2,20)21/h4-11,20-21H,3,12-13H2,1-2H3
InChIKeyAYBFRWFXXQIZIF-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.74
Rot. Bonds8

About (4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate

(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate (PubChem CID 100957753) has the molecular formula C18H22O6Si and a molecular weight of 362.45 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate
PubChem CID100957753
Molecular FormulaC18H22O6Si
Molecular Weight362.45 g/mol
Exact Mass362.12
IUPAC Name(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate
SMILESCOc1ccc(OC(=O)c2ccc(OCCC[Si](C)(O)O)cc2)cc1
InChIInChI=1S/C18H22O6Si/c1-22-15-8-10-17(11-9-15)24-18(19)14-4-6-16(7-5-14)23-12-3-13-25(2,20)21/h4-11,20-21H,3,12-13H2,1-2H3
InChIKeyAYBFRWFXXQIZIF-UHFFFAOYSA-N
XLogP2.74
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl) 4-[6-[dimethoxy(methyl)silyl]hexoxy]benzoate
CID 101407909
[4-[8-[dihydroxy(methyl)silyl]octoxy]phenyl] 4-hexoxybenzoate
CID 177406775
(4-methoxyphenyl) 4-[11-[dimethyl-[tris[11-[4-(4-methoxyphenoxy)carbonylphenoxy]undecyl-dimethylsilyl]methyl]silyl]undecoxy]benzoate
CID 101015178
(4-methoxyphenyl) 4-pentoxybenzoate
CID 23011479
(4-methoxyphenyl) 4-(6-methoxyhexoxy)benzoate
CID 142377359
(4-propoxyphenyl) 4-[3-[hydroxy(dimethyl)silyl]propoxy]benzoate
CID 54221559
[4-(4-octoxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 101022439
(4-methoxyphenyl) 4-hexadecoxybenzoate
CID 4038467
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-methoxyphenyl) 4-[2-(2-hydroxyethoxy)ethoxy]benzoate
CID 71428362
(4-methoxyphenyl) 4-butoxybenzoate;methyl(silyloxy)silane
CID 173363125
(4-fluorophenyl) 4-[3-[[3-[4-(4-fluorophenoxy)carbonylphenoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]benzoate
CID 70364236

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate?
The IUPAC name of (4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate (CID 100957753) is (4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate.
What is the SMILES notation for (4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate?
The canonical SMILES for (4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate is COc1ccc(OC(=O)c2ccc(OCCC[Si](C)(O)O)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate?
The InChIKey is AYBFRWFXXQIZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6Si/c1-22-15-8-10-17(11-9-15)24-18(19)14-4-6-16(7-5-14)23-12-3-13-25(2,20)21/h4-11,20-21H,3,12-13H2,1-2H3.
What are the key properties of (4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate?
(4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate has a molecular weight of 362.45 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-[3-[dihydroxy(methyl)silyl]propoxy]benzoate is sourced from PubChem (CID 100957753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).