2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol

C18H17O6+ — CID 101008371

IUPAC2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol
SMILESCOc1cc(-c2[o+]c3cc(O)cc(OC)c3cc2OC)ccc1O
InChIInChI=1S/C18H16O6/c1-21-14-7-11(19)8-15-12(14)9-17(23-3)18(24-15)10-4-5-13(20)16(6-10)22-2/h4-9H,1-3H3,(H-,19,20)/p+1
InChIKeyRAYDAFXCPXZHMK-UHFFFAOYSA-O
MW329.33 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol

2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol (PubChem CID 101008371) has the molecular formula C18H17O6+ and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol
PubChem CID101008371
Molecular FormulaC18H17O6+
Molecular Weight329.33 g/mol
Exact Mass329.10
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol
SMILESCOc1cc(-c2[o+]c3cc(O)cc(OC)c3cc2OC)ccc1O
InChIInChI=1S/C18H16O6/c1-21-14-7-11(19)8-15-12(14)9-17(23-3)18(24-15)10-4-5-13(20)16(6-10)22-2/h4-9H,1-3H3,(H-,19,20)/p+1
InChIKeyRAYDAFXCPXZHMK-UHFFFAOYSA-O
XLogP3.82
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol (CID 101008371) is 2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol is COc1cc(-c2[o+]c3cc(O)cc(OC)c3cc2OC)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol?
The InChIKey is RAYDAFXCPXZHMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16O6/c1-21-14-7-11(19)8-15-12(14)9-17(23-3)18(24-15)10-4-5-13(20)16(6-10)22-2/h4-9H,1-3H3,(H-,19,20)/p+1.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol?
2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol has a molecular weight of 329.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-3,5-dimethoxychromenylium-7-ol is sourced from PubChem (CID 101008371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).