4-tert-butyl-2-phenylchromenylium

C19H19O+ — CID 142492656

IUPAC4-tert-butyl-2-phenylchromenylium
SMILESCC(C)(C)c1cc(-c2ccccc2)[o+]c2ccccc12
InChIInChI=1S/C19H19O/c1-19(2,3)16-13-18(14-9-5-4-6-10-14)20-17-12-8-7-11-15(16)17/h4-13H,1-3H3/q+1
InChIKeySLDLBSKZBMHIJZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP5.68
Rot. Bonds1

About 4-tert-butyl-2-phenylchromenylium

4-tert-butyl-2-phenylchromenylium (PubChem CID 142492656) has the molecular formula C19H19O+ and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-tert-butyl-2-phenylchromenylium.

Molecular Properties

Compound Name4-tert-butyl-2-phenylchromenylium
PubChem CID142492656
Molecular FormulaC19H19O+
Molecular Weight263.36 g/mol
Exact Mass263.14
IUPAC Name4-tert-butyl-2-phenylchromenylium
SMILESCC(C)(C)c1cc(-c2ccccc2)[o+]c2ccccc12
InChIInChI=1S/C19H19O/c1-19(2,3)16-13-18(14-9-5-4-6-10-14)20-17-12-8-7-11-15(16)17/h4-13H,1-3H3/q+1
InChIKeySLDLBSKZBMHIJZ-UHFFFAOYSA-N
XLogP5.68
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.36
LogP ≤ 55.68
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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Related Compounds

4-tert-butyl-2-phenylbenzo[h]chromen-1-ium
CID 142492624
9-tert-butyl-1-phenylphenanthrene
CID 166007758
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium
CID 134909177
4,6-diphenyl-2-(4-phenylphenyl)chromenylium
CID 90472342
10-tert-butyl-3-phenylphenanthrene
CID 164811784
1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
2-tert-butyl-4-(2-chlorophenyl)-1-phenylnaphthalene
CID 176866137
1,5-ditert-butyl-2-methyl-3-phenylbenzene
CID 171424873
2,4-diphenylbenzo[g]chromen-1-ium
CID 134912167

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenylchromenylium?
The IUPAC name of 4-tert-butyl-2-phenylchromenylium (CID 142492656) is 4-tert-butyl-2-phenylchromenylium.
What is the SMILES notation for 4-tert-butyl-2-phenylchromenylium?
The canonical SMILES for 4-tert-butyl-2-phenylchromenylium is CC(C)(C)c1cc(-c2ccccc2)[o+]c2ccccc12.
What is the InChIKey of 4-tert-butyl-2-phenylchromenylium?
The InChIKey is SLDLBSKZBMHIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19O/c1-19(2,3)16-13-18(14-9-5-4-6-10-14)20-17-12-8-7-11-15(16)17/h4-13H,1-3H3/q+1.
What are the key properties of 4-tert-butyl-2-phenylchromenylium?
4-tert-butyl-2-phenylchromenylium has a molecular weight of 263.36 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenylchromenylium is sourced from PubChem (CID 142492656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).