4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid

C38H28O5Si — CID 101414949

IUPAC4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid
SMILESO=C(O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(=O)Oc3ccc(-c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H28O5Si/c39-31-19-11-27(12-20-31)28-13-21-32(22-14-28)43-38(42)30-17-25-36(26-18-30)44(33-7-3-1-4-8-33,34-9-5-2-6-10-34)35-23-15-29(16-24-35)37(40)41/h1-26,39H,(H,40,41)
InChIKeyODATXOWYFJMDFG-UHFFFAOYSA-N
MW592.72 g/mol
LogP5.35
Rot. Bonds8

About 4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid

4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid (PubChem CID 101414949) has the molecular formula C38H28O5Si and a molecular weight of 592.72 g/mol. Its IUPAC name is 4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid
PubChem CID101414949
Molecular FormulaC38H28O5Si
Molecular Weight592.72 g/mol
Exact Mass592.17
IUPAC Name4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid
SMILESO=C(O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(=O)Oc3ccc(-c4ccc(O)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H28O5Si/c39-31-19-11-27(12-20-31)28-13-21-32(22-14-28)43-38(42)30-17-25-36(26-18-30)44(33-7-3-1-4-8-33,34-9-5-2-6-10-34)35-23-15-29(16-24-35)37(40)41/h1-26,39H,(H,40,41)
InChIKeyODATXOWYFJMDFG-UHFFFAOYSA-N
XLogP5.35
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.72
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-(4-carboxyphenoxy)carbonylbenzoic acid;4-(4-hydroxyphenyl)phenol
CID 69279827
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515
[4-(4-acetyloxyphenyl)phenyl] 4-hydroxybenzoate
CID 143452404
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
phenyl 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 68524918
[3-(phenoxycarbonylamino)phenyl] 4-(4-hydroxyphenyl)benzoate
CID 54522633
[4-(4-hydroxyphenyl)phenyl] phenyl carbonate
CID 146436469
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid?
The IUPAC name of 4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid (CID 101414949) is 4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid.
What is the SMILES notation for 4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid?
The canonical SMILES for 4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid is O=C(O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(=O)Oc3ccc(-c4ccc(O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid?
The InChIKey is ODATXOWYFJMDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28O5Si/c39-31-19-11-27(12-20-31)28-13-21-32(22-14-28)43-38(42)30-17-25-36(26-18-30)44(33-7-3-1-4-8-33,34-9-5-2-6-10-34)35-23-15-29(16-24-35)37(40)41/h1-26,39H,(H,40,41).
What are the key properties of 4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid?
4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid has a molecular weight of 592.72 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4-hydroxyphenyl)phenoxy]carbonylphenyl]-diphenylsilyl]benzoic acid is sourced from PubChem (CID 101414949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).