2-hydroxy-3-tritylbenzaldehyde

C26H20O2 — CID 18676816

IUPAC2-hydroxy-3-tritylbenzaldehyde
SMILESO=Cc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C26H20O2/c27-19-20-11-10-18-24(25(20)28)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,28H
InChIKeyDCMNTKIYWNNJRO-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.59
Rot. Bonds5

About 2-hydroxy-3-tritylbenzaldehyde

2-hydroxy-3-tritylbenzaldehyde (PubChem CID 18676816) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-hydroxy-3-tritylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-tritylbenzaldehyde
PubChem CID18676816
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name2-hydroxy-3-tritylbenzaldehyde
SMILESO=Cc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C26H20O2/c27-19-20-11-10-18-24(25(20)28)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,28H
InChIKeyDCMNTKIYWNNJRO-UHFFFAOYSA-N
XLogP5.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-hydroxy-3-tritylbenzaldehyde?
The IUPAC name of 2-hydroxy-3-tritylbenzaldehyde (CID 18676816) is 2-hydroxy-3-tritylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-3-tritylbenzaldehyde?
The canonical SMILES for 2-hydroxy-3-tritylbenzaldehyde is O=Cc1cccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 2-hydroxy-3-tritylbenzaldehyde?
The InChIKey is DCMNTKIYWNNJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2/c27-19-20-11-10-18-24(25(20)28)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,28H.
What are the key properties of 2-hydroxy-3-tritylbenzaldehyde?
2-hydroxy-3-tritylbenzaldehyde has a molecular weight of 364.44 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-tritylbenzaldehyde is sourced from PubChem (CID 18676816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).