2-hydroxy-5-tritylbenzoic acid;zinc

C26H20O3Zn — CID 70592363

IUPAC2-hydroxy-5-tritylbenzoic acid;zinc
SMILESO=C(O)c1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O.[Zn]
InChIInChI=1S/C26H20O3.Zn/c27-24-17-16-22(18-23(24)25(28)29)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-18,27H,(H,28,29);
InChIKeyXWRBISDMHYHSKI-UHFFFAOYSA-N
MW445.83 g/mol
LogP5.47
Rot. Bonds5

About 2-hydroxy-5-tritylbenzoic acid;zinc

2-hydroxy-5-tritylbenzoic acid;zinc (PubChem CID 70592363) has the molecular formula C26H20O3Zn and a molecular weight of 445.83 g/mol. Its IUPAC name is 2-hydroxy-5-tritylbenzoic acid;zinc.

Molecular Properties

Compound Name2-hydroxy-5-tritylbenzoic acid;zinc
PubChem CID70592363
Molecular FormulaC26H20O3Zn
Molecular Weight445.83 g/mol
Exact Mass444.07
IUPAC Name2-hydroxy-5-tritylbenzoic acid;zinc
SMILESO=C(O)c1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O.[Zn]
InChIInChI=1S/C26H20O3.Zn/c27-24-17-16-22(18-23(24)25(28)29)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-18,27H,(H,28,29);
InChIKeyXWRBISDMHYHSKI-UHFFFAOYSA-N
XLogP5.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.83
LogP ≤ 55.47
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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Related Compounds

2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid
CID 139751321
4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
CID 59253853
5-(3-tert-butylphenyl)-2-hydroxybenzoic acid
CID 67567702
2-hydroxybenzoic acid;praseodymium
CID 87786006
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
benzene-1,2-diol;phthalic acid
CID 160861167
bis(2-hydroxy-5-iodobenzoic acid);zinc
CID 168801294
CID 87183669
CID 87183669
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
2-hydroxybenzoic acid;hydrobromide
CID 70122828

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-tritylbenzoic acid;zinc?
The IUPAC name of 2-hydroxy-5-tritylbenzoic acid;zinc (CID 70592363) is 2-hydroxy-5-tritylbenzoic acid;zinc.
What is the SMILES notation for 2-hydroxy-5-tritylbenzoic acid;zinc?
The canonical SMILES for 2-hydroxy-5-tritylbenzoic acid;zinc is O=C(O)c1cc(C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O.[Zn].
What is the InChIKey of 2-hydroxy-5-tritylbenzoic acid;zinc?
The InChIKey is XWRBISDMHYHSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O3.Zn/c27-24-17-16-22(18-23(24)25(28)29)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-18,27H,(H,28,29);.
What are the key properties of 2-hydroxy-5-tritylbenzoic acid;zinc?
2-hydroxy-5-tritylbenzoic acid;zinc has a molecular weight of 445.83 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-tritylbenzoic acid;zinc is sourced from PubChem (CID 70592363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).