2-(4-methylphenyl)chromenylium

C16H13O+ — CID 3826710

IUPAC2-(4-methylphenyl)chromenylium
SMILESCc1ccc(-c2ccc3ccccc3[o+]2)cc1
InChIInChI=1S/C16H13O/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-16/h2-11H,1H3/q+1
InChIKeyHQPFDFMBSVGIQI-UHFFFAOYSA-N
MW221.28 g/mol
LogP4.69
Rot. Bonds1

About 2-(4-methylphenyl)chromenylium

2-(4-methylphenyl)chromenylium (PubChem CID 3826710) has the molecular formula C16H13O+ and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)chromenylium.

Molecular Properties

Compound Name2-(4-methylphenyl)chromenylium
PubChem CID3826710
Molecular FormulaC16H13O+
Molecular Weight221.28 g/mol
Exact Mass221.10
IUPAC Name2-(4-methylphenyl)chromenylium
SMILESCc1ccc(-c2ccc3ccccc3[o+]2)cc1
InChIInChI=1S/C16H13O/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-16/h2-11H,1H3/q+1
InChIKeyHQPFDFMBSVGIQI-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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Related Compounds

2-phenylchromenylium
CID 159562545
2-phenylchromenylium;hydrate
CID 172755683
2-(4-nitrophenyl)chromenylium perchlorate
CID 13045838
2-(3,4,5-trimethoxyphenyl)chromenylium
CID 12986342
7-methyl-2-phenylchromenylium-6-ol
CID 134912245
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
1-methyl-3-phenylbenzo[f]chromen-4-ium tetrafluoroborate
CID 153489891
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
bis(1,1'-biphenyl);ethane;naphthalene;toluene
CID 159439473
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
2-(4-methylphenyl)-7-phenylnaphthalene
CID 155763940

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)chromenylium?
The IUPAC name of 2-(4-methylphenyl)chromenylium (CID 3826710) is 2-(4-methylphenyl)chromenylium.
What is the SMILES notation for 2-(4-methylphenyl)chromenylium?
The canonical SMILES for 2-(4-methylphenyl)chromenylium is Cc1ccc(-c2ccc3ccccc3[o+]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)chromenylium?
The InChIKey is HQPFDFMBSVGIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13O/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)17-16/h2-11H,1H3/q+1.
What are the key properties of 2-(4-methylphenyl)chromenylium?
2-(4-methylphenyl)chromenylium 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 2-(4-methylphenyl)chromenylium is sourced from PubChem (CID 3826710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).