4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol

C26H20N2O4 — CID 1309066

IUPAC4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3cc4ccccc4cc3nc2-c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C26H20N2O4/c1-31-23-13-17(7-9-21(23)29)25-26(18-8-10-22(30)24(14-18)32-2)28-20-12-16-6-4-3-5-15(16)11-19(20)27-25/h3-14,29-30H,1-2H3
InChIKeyOSQJWZRHXCVPJA-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.55
Rot. Bonds4

About 4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol

4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol (PubChem CID 1309066) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol
PubChem CID1309066
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3cc4ccccc4cc3nc2-c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C26H20N2O4/c1-31-23-13-17(7-9-21(23)29)25-26(18-8-10-22(30)24(14-18)32-2)28-20-12-16-6-4-3-5-15(16)11-19(20)27-25/h3-14,29-30H,1-2H3
InChIKeyOSQJWZRHXCVPJA-UHFFFAOYSA-N
XLogP5.55
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol (CID 1309066) is 4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol is COc1cc(-c2nc3cc4ccccc4cc3nc2-c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol?
The InChIKey is OSQJWZRHXCVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-31-23-13-17(7-9-21(23)29)25-26(18-8-10-22(30)24(14-18)32-2)28-20-12-16-6-4-3-5-15(16)11-19(20)27-25/h3-14,29-30H,1-2H3.
What are the key properties of 4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol?
4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol has a molecular weight of 424.46 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 1309066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).