4-methyl-2-phenylchromenylium

C16H13O+ — CID 4073410

IUPAC4-methyl-2-phenylchromenylium
SMILESCc1cc(-c2ccccc2)[o+]c2ccccc12
InChIInChI=1S/C16H13O/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-11H,1H3/q+1
InChIKeyWUFYOMNENLDUTF-UHFFFAOYSA-N
MW221.28 g/mol
LogP4.69
Rot. Bonds1

About 4-methyl-2-phenylchromenylium

4-methyl-2-phenylchromenylium (PubChem CID 4073410) has the molecular formula C16H13O+ and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-methyl-2-phenylchromenylium.

Molecular Properties

Compound Name4-methyl-2-phenylchromenylium
PubChem CID4073410
Molecular FormulaC16H13O+
Molecular Weight221.28 g/mol
Exact Mass221.10
IUPAC Name4-methyl-2-phenylchromenylium
SMILESCc1cc(-c2ccccc2)[o+]c2ccccc12
InChIInChI=1S/C16H13O/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-11H,1H3/q+1
InChIKeyWUFYOMNENLDUTF-UHFFFAOYSA-N
XLogP4.69
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylchromenylium?
The IUPAC name of 4-methyl-2-phenylchromenylium (CID 4073410) is 4-methyl-2-phenylchromenylium.
What is the SMILES notation for 4-methyl-2-phenylchromenylium?
The canonical SMILES for 4-methyl-2-phenylchromenylium is Cc1cc(-c2ccccc2)[o+]c2ccccc12.
What is the InChIKey of 4-methyl-2-phenylchromenylium?
The InChIKey is WUFYOMNENLDUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13O/c1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15/h2-11H,1H3/q+1.
What are the key properties of 4-methyl-2-phenylchromenylium?
4-methyl-2-phenylchromenylium has a molecular weight of 221.28 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylchromenylium is sourced from PubChem (CID 4073410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).