2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid

C26H18Cl2O4Si — CID 3075969

IUPAC2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1[Si](c1ccccc1)(c1ccccc1)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C26H18Cl2O4Si/c27-17-11-13-21(25(29)30)23(15-17)33(19-7-3-1-4-8-19,20-9-5-2-6-10-20)24-16-18(28)12-14-22(24)26(31)32/h1-16H,(H,29,30)(H,31,32)
InChIKeyGBQTWAWVQUDERK-UHFFFAOYSA-N
MW493.42 g/mol
LogP3.77
Rot. Bonds6

About 2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid

2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid (PubChem CID 3075969) has the molecular formula C26H18Cl2O4Si and a molecular weight of 493.42 g/mol. Its IUPAC name is 2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid
PubChem CID3075969
Molecular FormulaC26H18Cl2O4Si
Molecular Weight493.42 g/mol
Exact Mass492.04
IUPAC Name2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1[Si](c1ccccc1)(c1ccccc1)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C26H18Cl2O4Si/c27-17-11-13-21(25(29)30)23(15-17)33(19-7-3-1-4-8-19,20-9-5-2-6-10-20)24-16-18(28)12-14-22(24)26(31)32/h1-16H,(H,29,30)(H,31,32)
InChIKeyGBQTWAWVQUDERK-UHFFFAOYSA-N
XLogP3.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid?
The IUPAC name of 2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid (CID 3075969) is 2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid is O=C(O)c1ccc(Cl)cc1[Si](c1ccccc1)(c1ccccc1)c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid?
The InChIKey is GBQTWAWVQUDERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2O4Si/c27-17-11-13-21(25(29)30)23(15-17)33(19-7-3-1-4-8-19,20-9-5-2-6-10-20)24-16-18(28)12-14-22(24)26(31)32/h1-16H,(H,29,30)(H,31,32).
What are the key properties of 2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid?
2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid has a molecular weight of 493.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-carboxy-5-chlorophenyl)-diphenylsilyl]-4-chlorobenzoic acid is sourced from PubChem (CID 3075969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).