2-phenylchromenylium

C30H22O2+2 — CID 159562545

IUPAC2-phenylchromenylium
SMILESc1ccc(-c2ccc3ccccc3[o+]2)cc1.c1ccc(-c2ccc3ccccc3[o+]2)cc1
InChIInChI=1S/2C15H11O/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h2*1-11H/q2*+1
InChIKeyMGUOEGFCOIFGHS-UHFFFAOYSA-N
MW414.50 g/mol
LogP8.76
Rot. Bonds2

About 2-phenylchromenylium

2-phenylchromenylium (PubChem CID 159562545) has the molecular formula C30H22O2+2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-phenylchromenylium.

Molecular Properties

Compound Name2-phenylchromenylium
PubChem CID159562545
Molecular FormulaC30H22O2+2
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name2-phenylchromenylium
SMILESc1ccc(-c2ccc3ccccc3[o+]2)cc1.c1ccc(-c2ccc3ccccc3[o+]2)cc1
InChIInChI=1S/2C15H11O/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h2*1-11H/q2*+1
InChIKeyMGUOEGFCOIFGHS-UHFFFAOYSA-N
XLogP8.76
TPSA22.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 58.76
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

2-phenylchromenylium;hydrate
CID 172755683
2-(4-methylphenyl)chromenylium
CID 3826710
2-(4-nitrophenyl)chromenylium perchlorate
CID 13045838
2-(3,4,5-trimethoxyphenyl)chromenylium
CID 12986342
7-methyl-2-phenylchromenylium-6-ol
CID 134912245
2-(1,3-benzodioxol-5-yl)chromenylium perchlorate
CID 135052938
2,4-diphenylbenzo[g]chromen-1-ium
CID 134912167
2-(4-hydroxyphenyl)chromenylium-7-ol chloride
CID 12735693
CID 172725087
CID 172725087
2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyran-1-ium
CID 134910928
1-methyl-3-phenylbenzo[f]chromen-4-ium tetrafluoroborate
CID 153489891
3-methyl-2,6-diphenylpyrylium perchlorate
CID 14568808

Frequently Asked Questions

What is the IUPAC name of 2-phenylchromenylium?
The IUPAC name of 2-phenylchromenylium (CID 159562545) is 2-phenylchromenylium.
What is the SMILES notation for 2-phenylchromenylium?
The canonical SMILES for 2-phenylchromenylium is c1ccc(-c2ccc3ccccc3[o+]2)cc1.c1ccc(-c2ccc3ccccc3[o+]2)cc1.
What is the InChIKey of 2-phenylchromenylium?
The InChIKey is MGUOEGFCOIFGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11O/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h2*1-11H/q2*+1.
What are the key properties of 2-phenylchromenylium?
2-phenylchromenylium has a molecular weight of 414.50 g/mol, XLogP of 8.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylchromenylium is sourced from PubChem (CID 159562545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).