2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol

C16H13O4+ — CID 10061611

IUPAC2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol
SMILESCOc1ccc(-c2ccc3ccc(O)cc3[o+]2)cc1O
InChIInChI=1S/C16H12O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2-9H,1H3,(H-,17,18)/p+1
InChIKeyVBPOKYKSUZYTEH-UHFFFAOYSA-O
MW269.28 g/mol
LogP3.80
Rot. Bonds2

About 2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol

2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol (PubChem CID 10061611) has the molecular formula C16H13O4+ and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol
PubChem CID10061611
Molecular FormulaC16H13O4+
Molecular Weight269.28 g/mol
Exact Mass269.08
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol
SMILESCOc1ccc(-c2ccc3ccc(O)cc3[o+]2)cc1O
InChIInChI=1S/C16H12O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2-9H,1H3,(H-,17,18)/p+1
InChIKeyVBPOKYKSUZYTEH-UHFFFAOYSA-O
XLogP3.80
TPSA60.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.80
H-Bond Donors ≤ 52
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 2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol (CID 10061611) is 2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol is COc1ccc(-c2ccc3ccc(O)cc3[o+]2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol?
The InChIKey is VBPOKYKSUZYTEH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2-9H,1H3,(H-,17,18)/p+1.
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol?
2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol has a molecular weight of 269.28 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol is sourced from PubChem (CID 10061611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).