6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol

C15H10BrO4+ — CID 132510671

IUPAC6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol
SMILESOc1ccc(-c2ccc3c(O)c(Br)c(O)cc3[o+]2)cc1
InChIInChI=1S/C15H9BrO4/c16-14-11(18)7-13-10(15(14)19)5-6-12(20-13)8-1-3-9(17)4-2-8/h1-7H,(H2-,17,18,19)/p+1
InChIKeyKMLJRXMPTNDLBG-UHFFFAOYSA-O
MW334.15 g/mol
LogP4.26
Rot. Bonds1

About 6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol

6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol (PubChem CID 132510671) has the molecular formula C15H10BrO4+ and a molecular weight of 334.15 g/mol. Its IUPAC name is 6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol.

Molecular Properties

Compound Name6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol
PubChem CID132510671
Molecular FormulaC15H10BrO4+
Molecular Weight334.15 g/mol
Exact Mass332.98
IUPAC Name6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol
SMILESOc1ccc(-c2ccc3c(O)c(Br)c(O)cc3[o+]2)cc1
InChIInChI=1S/C15H9BrO4/c16-14-11(18)7-13-10(15(14)19)5-6-12(20-13)8-1-3-9(17)4-2-8/h1-7H,(H2-,17,18,19)/p+1
InChIKeyKMLJRXMPTNDLBG-UHFFFAOYSA-O
XLogP4.26
TPSA71.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol?
The IUPAC name of 6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol (CID 132510671) is 6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol.
What is the SMILES notation for 6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol?
The canonical SMILES for 6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol is Oc1ccc(-c2ccc3c(O)c(Br)c(O)cc3[o+]2)cc1.
What is the InChIKey of 6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol?
The InChIKey is KMLJRXMPTNDLBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H9BrO4/c16-14-11(18)7-13-10(15(14)19)5-6-12(20-13)8-1-3-9(17)4-2-8/h1-7H,(H2-,17,18,19)/p+1.
What are the key properties of 6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol?
6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol has a molecular weight of 334.15 g/mol, XLogP of 4.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-hydroxyphenyl)chromenylium-5,7-diol is sourced from PubChem (CID 132510671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).