2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride

C15H12Cl2O5 — CID 172999610

IUPAC2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride
SMILESCl.Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1.[Cl-]
InChIInChI=1S/C15H10O5.2ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;;/h1-7H,(H3-,16,17,18,19);2*1H
InChIKeyQLXAQQFBUVBMTF-UHFFFAOYSA-N
MW343.16 g/mol
LogP0.63
Rot. Bonds1

About 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride

2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride (PubChem CID 172999610) has the molecular formula C15H12Cl2O5 and a molecular weight of 343.16 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride
PubChem CID172999610
Molecular FormulaC15H12Cl2O5
Molecular Weight343.16 g/mol
Exact Mass342.01
IUPAC Name2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride
SMILESCl.Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1.[Cl-]
InChIInChI=1S/C15H10O5.2ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;;/h1-7H,(H3-,16,17,18,19);2*1H
InChIKeyQLXAQQFBUVBMTF-UHFFFAOYSA-N
XLogP0.63
TPSA92.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride?
The IUPAC name of 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride (CID 172999610) is 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride.
What is the SMILES notation for 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride?
The canonical SMILES for 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride is Cl.Oc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc1.[Cl-].
What is the InChIKey of 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride?
The InChIKey is QLXAQQFBUVBMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5.2ClH/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15;;/h1-7H,(H3-,16,17,18,19);2*1H.
What are the key properties of 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride?
2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride has a molecular weight of 343.16 g/mol, XLogP of 0.63, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrochloride is sourced from PubChem (CID 172999610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).