2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol

C25H20O4 — CID 123661645

IUPAC2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol
SMILESCOc1ccccc1-c1oc2c(c1C)c(O)c(O)c1c3cccc(C)c3ccc21
InChIInChI=1S/C25H20O4/c1-13-7-6-9-16-15(13)11-12-18-21(16)23(27)22(26)20-14(2)24(29-25(18)20)17-8-4-5-10-19(17)28-3/h4-12,26-27H,1-3H3
InChIKeyYORCVFUFKSRDOX-UHFFFAOYSA-N
MW384.43 g/mol
LogP6.44
Rot. Bonds2

About 2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol

2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol (PubChem CID 123661645) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol
PubChem CID123661645
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol
SMILESCOc1ccccc1-c1oc2c(c1C)c(O)c(O)c1c3cccc(C)c3ccc21
InChIInChI=1S/C25H20O4/c1-13-7-6-9-16-15(13)11-12-18-21(16)23(27)22(26)20-14(2)24(29-25(18)20)17-8-4-5-10-19(17)28-3/h4-12,26-27H,1-3H3
InChIKeyYORCVFUFKSRDOX-UHFFFAOYSA-N
XLogP6.44
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol?
The IUPAC name of 2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol (CID 123661645) is 2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol?
The canonical SMILES for 2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol is COc1ccccc1-c1oc2c(c1C)c(O)c(O)c1c3cccc(C)c3ccc21.
What is the InChIKey of 2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol?
The InChIKey is YORCVFUFKSRDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O4/c1-13-7-6-9-16-15(13)11-12-18-21(16)23(27)22(26)20-14(2)24(29-25(18)20)17-8-4-5-10-19(17)28-3/h4-12,26-27H,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol?
2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol has a molecular weight of 384.43 g/mol, XLogP of 6.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-diol is sourced from PubChem (CID 123661645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).