2-phenylchromenylium;hydrate

C15H13O2+ — CID 172755683

IUPAC2-phenylchromenylium;hydrate
SMILESO.c1ccc(-c2ccc3ccccc3[o+]2)cc1
InChIInChI=1S/C15H11O.H2O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-11H;1H2/q+1;
InChIKeyKZIRPEZTSAXXHK-UHFFFAOYSA-N
MW225.27 g/mol
LogP3.56
Rot. Bonds1

About 2-phenylchromenylium;hydrate

2-phenylchromenylium;hydrate (PubChem CID 172755683) has the molecular formula C15H13O2+ and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-phenylchromenylium;hydrate.

Molecular Properties

Compound Name2-phenylchromenylium;hydrate
PubChem CID172755683
Molecular FormulaC15H13O2+
Molecular Weight225.27 g/mol
Exact Mass225.09
IUPAC Name2-phenylchromenylium;hydrate
SMILESO.c1ccc(-c2ccc3ccccc3[o+]2)cc1
InChIInChI=1S/C15H11O.H2O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-11H;1H2/q+1;
InChIKeyKZIRPEZTSAXXHK-UHFFFAOYSA-N
XLogP3.56
TPSA42.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.56
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-(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;hydrate?
The IUPAC name of 2-phenylchromenylium;hydrate (CID 172755683) is 2-phenylchromenylium;hydrate.
What is the SMILES notation for 2-phenylchromenylium;hydrate?
The canonical SMILES for 2-phenylchromenylium;hydrate is O.c1ccc(-c2ccc3ccccc3[o+]2)cc1.
What is the InChIKey of 2-phenylchromenylium;hydrate?
The InChIKey is KZIRPEZTSAXXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11O.H2O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-11H;1H2/q+1;.
What are the key properties of 2-phenylchromenylium;hydrate?
2-phenylchromenylium;hydrate has a molecular weight of 225.27 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylchromenylium;hydrate is sourced from PubChem (CID 172755683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).