2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol

C23H22N2O3 — CID 68844546

IUPAC2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol
SMILESCC(C)c1ccc(C2=C(c3ccccc3O)N(O)c3ccccc3N2O)cc1
InChIInChI=1S/C23H22N2O3/c1-15(2)16-11-13-17(14-12-16)22-23(18-7-3-6-10-21(18)26)25(28)20-9-5-4-8-19(20)24(22)27/h3-15,26-28H,1-2H3
InChIKeyHIBGDBCBXTZXOT-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.45
Rot. Bonds3

About 2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol

2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol (PubChem CID 68844546) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol.

Molecular Properties

Compound Name2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol
PubChem CID68844546
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol
SMILESCC(C)c1ccc(C2=C(c3ccccc3O)N(O)c3ccccc3N2O)cc1
InChIInChI=1S/C23H22N2O3/c1-15(2)16-11-13-17(14-12-16)22-23(18-7-3-6-10-21(18)26)25(28)20-9-5-4-8-19(20)24(22)27/h3-15,26-28H,1-2H3
InChIKeyHIBGDBCBXTZXOT-UHFFFAOYSA-N
XLogP5.45
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol?
The IUPAC name of 2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol (CID 68844546) is 2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol.
What is the SMILES notation for 2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol?
The canonical SMILES for 2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol is CC(C)c1ccc(C2=C(c3ccccc3O)N(O)c3ccccc3N2O)cc1.
What is the InChIKey of 2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol?
The InChIKey is HIBGDBCBXTZXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-15(2)16-11-13-17(14-12-16)22-23(18-7-3-6-10-21(18)26)25(28)20-9-5-4-8-19(20)24(22)27/h3-15,26-28H,1-2H3.
What are the key properties of 2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol?
2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol has a molecular weight of 374.44 g/mol, XLogP of 5.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-dihydroxy-3-(4-propan-2-ylphenyl)quinoxalin-2-yl]phenol is sourced from PubChem (CID 68844546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).