2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol

C17H13O3+ — CID 86169085

IUPAC2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol
SMILESOc1ccc(C=Cc2ccc3ccc(O)cc3[o+]2)cc1
InChIInChI=1S/C17H12O3/c18-14-6-1-12(2-7-14)3-9-16-10-5-13-4-8-15(19)11-17(13)20-16/h1-11H,(H-,18,19)/p+1
InChIKeyUQTTWWJFYUPQEB-UHFFFAOYSA-O
MW265.29 g/mol
LogP4.30
Rot. Bonds2

About 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol

2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol (PubChem CID 86169085) has the molecular formula C17H13O3+ and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol
PubChem CID86169085
Molecular FormulaC17H13O3+
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol
SMILESOc1ccc(C=Cc2ccc3ccc(O)cc3[o+]2)cc1
InChIInChI=1S/C17H12O3/c18-14-6-1-12(2-7-14)3-9-16-10-5-13-4-8-15(19)11-17(13)20-16/h1-11H,(H-,18,19)/p+1
InChIKeyUQTTWWJFYUPQEB-UHFFFAOYSA-O
XLogP4.30
TPSA51.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol (CID 86169085) is 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol is Oc1ccc(C=Cc2ccc3ccc(O)cc3[o+]2)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol?
The InChIKey is UQTTWWJFYUPQEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H12O3/c18-14-6-1-12(2-7-14)3-9-16-10-5-13-4-8-15(19)11-17(13)20-16/h1-11H,(H-,18,19)/p+1.
What are the key properties of 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol?
2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol has a molecular weight of 265.29 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethenyl]chromenylium-7-ol is sourced from PubChem (CID 86169085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).