bis(5-methylbenzene-1,3-diol);quinoxaline

C22H22N2O4 — CID 139147357

IUPACbis(5-methylbenzene-1,3-diol);quinoxaline
SMILESCc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.2C7H8O2/c1-2-4-8-7(3-1)9-5-6-10-8;2*1-5-2-6(8)4-7(9)3-5/h1-6H;2*2-4,8-9H,1H3
InChIKeyRAYJDTYJCPRUEY-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.44
Rot. Bonds

About bis(5-methylbenzene-1,3-diol);quinoxaline

bis(5-methylbenzene-1,3-diol);quinoxaline (PubChem CID 139147357) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is bis(5-methylbenzene-1,3-diol);quinoxaline.

Molecular Properties

Compound Namebis(5-methylbenzene-1,3-diol);quinoxaline
PubChem CID139147357
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Namebis(5-methylbenzene-1,3-diol);quinoxaline
SMILESCc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.2C7H8O2/c1-2-4-8-7(3-1)9-5-6-10-8;2*1-5-2-6(8)4-7(9)3-5/h1-6H;2*2-4,8-9H,1H3
InChIKeyRAYJDTYJCPRUEY-UHFFFAOYSA-N
XLogP4.44
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

phenol;quinoxaline;hydrate
CID 174252210
bis(5-methylbenzene-1,3-diol);pyrazine
CID 139147343
iron;quinoxaline
CID 161047921
benzene-1,3,5-triol;1,3,5-trimethylbenzene
CID 175059565
butane;quinoxaline
CID 143489739
benzene-1,3,5-triol;phenazine;hydrate
CID 139145331
formonitrile;quinoxaline
CID 70466882
5-methylbenzene-1,3-diol;propane
CID 70587781
quinoxaline;thiophene
CID 175432648
CID 175809990
CID 175809990
carbanide;3,5-dimethylphenol;titanium(2+)
CID 174659955
3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol
CID 107680810

Frequently Asked Questions

What is the IUPAC name of bis(5-methylbenzene-1,3-diol);quinoxaline?
The IUPAC name of bis(5-methylbenzene-1,3-diol);quinoxaline (CID 139147357) is bis(5-methylbenzene-1,3-diol);quinoxaline.
What is the SMILES notation for bis(5-methylbenzene-1,3-diol);quinoxaline?
The canonical SMILES for bis(5-methylbenzene-1,3-diol);quinoxaline is Cc1cc(O)cc(O)c1.Cc1cc(O)cc(O)c1.c1ccc2nccnc2c1.
What is the InChIKey of bis(5-methylbenzene-1,3-diol);quinoxaline?
The InChIKey is RAYJDTYJCPRUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.2C7H8O2/c1-2-4-8-7(3-1)9-5-6-10-8;2*1-5-2-6(8)4-7(9)3-5/h1-6H;2*2-4,8-9H,1H3.
What are the key properties of bis(5-methylbenzene-1,3-diol);quinoxaline?
bis(5-methylbenzene-1,3-diol);quinoxaline has a molecular weight of 378.43 g/mol, XLogP of 4.44, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methylbenzene-1,3-diol);quinoxaline is sourced from PubChem (CID 139147357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).