2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate

C15H11ClO7 — CID 14596354

IUPAC2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate
SMILESOc1ccc(-c2ccc3ccc(O)cc3[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H10O3.ClHO4/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14;2-1(3,4)5/h1-9H,(H-,16,17);(H,2,3,4,5)
InChIKeyHDPKHPKSJHJQKY-UHFFFAOYSA-N
MW338.70 g/mol
LogP-0.96
Rot. Bonds1

About 2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate

2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate (PubChem CID 14596354) has the molecular formula C15H11ClO7 and a molecular weight of 338.70 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate
PubChem CID14596354
Molecular FormulaC15H11ClO7
Molecular Weight338.70 g/mol
Exact Mass338.02
IUPAC Name2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate
SMILESOc1ccc(-c2ccc3ccc(O)cc3[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H10O3.ClHO4/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14;2-1(3,4)5/h1-9H,(H-,16,17);(H,2,3,4,5)
InChIKeyHDPKHPKSJHJQKY-UHFFFAOYSA-N
XLogP-0.96
TPSA144.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.70
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-7-ol perchlorate?
The IUPAC name of 2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate (CID 14596354) is 2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate.
What is the SMILES notation for 2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate?
The canonical SMILES for 2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate is Oc1ccc(-c2ccc3ccc(O)cc3[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate?
The InChIKey is HDPKHPKSJHJQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3.ClHO4/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14;2-1(3,4)5/h1-9H,(H-,16,17);(H,2,3,4,5).
What are the key properties of 2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate?
2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate has a molecular weight of 338.70 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)chromenylium-7-ol perchlorate is sourced from PubChem (CID 14596354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).