methyl 4,6-diphenylpyrylium-2-carboxylate

C19H15O3+ — CID 3838669

IUPACmethyl 4,6-diphenylpyrylium-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[o+]1
InChIInChI=1S/C19H15O3/c1-21-19(20)18-13-16(14-8-4-2-5-9-14)12-17(22-18)15-10-6-3-7-11-15/h2-13H,1H3/q+1
InChIKeyYUDVNRNYUNYYOT-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.68
Rot. Bonds3

About methyl 4,6-diphenylpyrylium-2-carboxylate

methyl 4,6-diphenylpyrylium-2-carboxylate (PubChem CID 3838669) has the molecular formula C19H15O3+ and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 4,6-diphenylpyrylium-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-diphenylpyrylium-2-carboxylate
PubChem CID3838669
Molecular FormulaC19H15O3+
Molecular Weight291.33 g/mol
Exact Mass291.10
IUPAC Namemethyl 4,6-diphenylpyrylium-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[o+]1
InChIInChI=1S/C19H15O3/c1-21-19(20)18-13-16(14-8-4-2-5-9-14)12-17(22-18)15-10-6-3-7-11-15/h2-13H,1H3/q+1
InChIKeyYUDVNRNYUNYYOT-UHFFFAOYSA-N
XLogP4.68
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

4,6-diphenylpyrylium-2-carboxylic acid
CID 3314101
methyl 2-phenylazulene-6-carboxylate
CID 23257786
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
diethyl 4-phenylpyrylium-2,6-dicarboxylate perchlorate
CID 44887846
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 3-formyl-5-phenylbenzoate
CID 88561174
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
[4-(2,6-diphenylpyrylium-4-yl)phenyl] acetate perchlorate
CID 13402286
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
methyl 3-methoxy-5-phenylbenzoate
CID 71086676
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
methyl 4-(4-phenylphenoxy)benzoate
CID 15230373

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-diphenylpyrylium-2-carboxylate?
The IUPAC name of methyl 4,6-diphenylpyrylium-2-carboxylate (CID 3838669) is methyl 4,6-diphenylpyrylium-2-carboxylate.
What is the SMILES notation for methyl 4,6-diphenylpyrylium-2-carboxylate?
The canonical SMILES for methyl 4,6-diphenylpyrylium-2-carboxylate is COC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[o+]1.
What is the InChIKey of methyl 4,6-diphenylpyrylium-2-carboxylate?
The InChIKey is YUDVNRNYUNYYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15O3/c1-21-19(20)18-13-16(14-8-4-2-5-9-14)12-17(22-18)15-10-6-3-7-11-15/h2-13H,1H3/q+1.
What are the key properties of methyl 4,6-diphenylpyrylium-2-carboxylate?
methyl 4,6-diphenylpyrylium-2-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-diphenylpyrylium-2-carboxylate is sourced from PubChem (CID 3838669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).