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

C15H11ClO3 — CID 12735693

IUPAC2-(4-hydroxyphenyl)chromenylium-7-ol chloride
SMILESOc1ccc(-c2ccc3ccc(O)cc3[o+]2)cc1.[Cl-]
InChIInChI=1S/C15H10O3.ClH/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14;/h1-9H,(H-,16,17);1H
InChIKeyQUNVDNWAPKCNAR-UHFFFAOYSA-N
MW274.70 g/mol
LogP0.80
Rot. Bonds1

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

2-(4-hydroxyphenyl)chromenylium-7-ol chloride (PubChem CID 12735693) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)chromenylium-7-ol chloride.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)chromenylium-7-ol chloride
PubChem CID12735693
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name2-(4-hydroxyphenyl)chromenylium-7-ol chloride
SMILESOc1ccc(-c2ccc3ccc(O)cc3[o+]2)cc1.[Cl-]
InChIInChI=1S/C15H10O3.ClH/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14;/h1-9H,(H-,16,17);1H
InChIKeyQUNVDNWAPKCNAR-UHFFFAOYSA-N
XLogP0.80
TPSA51.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 chloride?
The IUPAC name of 2-(4-hydroxyphenyl)chromenylium-7-ol chloride (CID 12735693) is 2-(4-hydroxyphenyl)chromenylium-7-ol chloride.
What is the SMILES notation for 2-(4-hydroxyphenyl)chromenylium-7-ol chloride?
The canonical SMILES for 2-(4-hydroxyphenyl)chromenylium-7-ol chloride is Oc1ccc(-c2ccc3ccc(O)cc3[o+]2)cc1.[Cl-].
What is the InChIKey of 2-(4-hydroxyphenyl)chromenylium-7-ol chloride?
The InChIKey is QUNVDNWAPKCNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3.ClH/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14;/h1-9H,(H-,16,17);1H.
What are the key properties of 2-(4-hydroxyphenyl)chromenylium-7-ol chloride?
2-(4-hydroxyphenyl)chromenylium-7-ol chloride has a molecular weight of 274.70 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)chromenylium-7-ol chloride is sourced from PubChem (CID 12735693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).