2-hydroxy-3-tritylbenzoic acid

C26H20O3 — CID 19779155

IUPAC2-hydroxy-3-tritylbenzoic acid
SMILESO=C(O)c1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C26H20O3/c27-24-22(25(28)29)17-10-18-23(24)26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,27H,(H,28,29)
InChIKeyWESFHMYVQLVCOD-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.47
Rot. Bonds5

About 2-hydroxy-3-tritylbenzoic acid

2-hydroxy-3-tritylbenzoic acid (PubChem CID 19779155) has the molecular formula C26H20O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-hydroxy-3-tritylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-tritylbenzoic acid
PubChem CID19779155
Molecular FormulaC26H20O3
Molecular Weight380.44 g/mol
Exact Mass380.14
IUPAC Name2-hydroxy-3-tritylbenzoic acid
SMILESO=C(O)c1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C26H20O3/c27-24-22(25(28)29)17-10-18-23(24)26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,27H,(H,28,29)
InChIKeyWESFHMYVQLVCOD-UHFFFAOYSA-N
XLogP5.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1-diphenylethyl)-2-hydroxybenzoic acid
CID 139751324
3-tritylbenzene-1,2-diol
CID 68658229
2-hydroxy-3-(2-phenylbutan-2-yl)benzoic acid
CID 139750828
2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
CID 56991164
2-hydroxy-3-tritylbenzaldehyde
CID 18676816
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
3-tert-butyl-2-hydroxybenzoic acid;diphenyl carbonate
CID 87346943
3-[diamino(phenyl)methyl]phthalic acid
CID 140943111
CID 175980360
CID 175980360
2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid
CID 67818345
CID 70118129
CID 70118129
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-tritylbenzoic acid?
The IUPAC name of 2-hydroxy-3-tritylbenzoic acid (CID 19779155) is 2-hydroxy-3-tritylbenzoic acid.
What is the SMILES notation for 2-hydroxy-3-tritylbenzoic acid?
The canonical SMILES for 2-hydroxy-3-tritylbenzoic acid is O=C(O)c1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 2-hydroxy-3-tritylbenzoic acid?
The InChIKey is WESFHMYVQLVCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O3/c27-24-22(25(28)29)17-10-18-23(24)26(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18,27H,(H,28,29).
What are the key properties of 2-hydroxy-3-tritylbenzoic acid?
2-hydroxy-3-tritylbenzoic acid has a molecular weight of 380.44 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-3-tritylbenzoic acid is sourced from PubChem (CID 19779155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).