2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol

C17H15O5+ — CID 134911918

IUPAC2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol
SMILESCOc1ccc(-c2ccc3c(O)cc(O)cc3[o+]2)cc1OC
InChIInChI=1S/C17H14O5/c1-20-15-5-3-10(7-17(15)21-2)14-6-4-12-13(19)8-11(18)9-16(12)22-14/h3-9H,1-2H3,(H-,18,19)/p+1
InChIKeyUKVKSLMZDGNYRC-UHFFFAOYSA-O
MW299.30 g/mol
LogP3.81
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol

2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol (PubChem CID 134911918) has the molecular formula C17H15O5+ and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol
PubChem CID134911918
Molecular FormulaC17H15O5+
Molecular Weight299.30 g/mol
Exact Mass299.09
IUPAC Name2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol
SMILESCOc1ccc(-c2ccc3c(O)cc(O)cc3[o+]2)cc1OC
InChIInChI=1S/C17H14O5/c1-20-15-5-3-10(7-17(15)21-2)14-6-4-12-13(19)8-11(18)9-16(12)22-14/h3-9H,1-2H3,(H-,18,19)/p+1
InChIKeyUKVKSLMZDGNYRC-UHFFFAOYSA-O
XLogP3.81
TPSA70.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dimethoxyphenyl)chromenylium-5,7-diol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol (CID 134911918) is 2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol is COc1ccc(-c2ccc3c(O)cc(O)cc3[o+]2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol?
The InChIKey is UKVKSLMZDGNYRC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14O5/c1-20-15-5-3-10(7-17(15)21-2)14-6-4-12-13(19)8-11(18)9-16(12)22-14/h3-9H,1-2H3,(H-,18,19)/p+1.
What are the key properties of 2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol?
2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol has a molecular weight of 299.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol is sourced from PubChem (CID 134911918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).