5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran

C18H14O2Se2 — CID 12031580

IUPAC5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran
SMILESCc1ccc2oc([Se][Se]c3cc4cc(C)ccc4o3)cc2c1
InChIInChI=1S/C18H14O2Se2/c1-11-3-5-15-13(7-11)9-17(19-15)21-22-18-10-14-8-12(2)4-6-16(14)20-18/h3-10H,1-2H3
InChIKeyMEIJFCCMQLCTNB-UHFFFAOYSA-N
MW420.23 g/mol
LogP3.07
Rot. Bonds3

About 5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran

5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran (PubChem CID 12031580) has the molecular formula C18H14O2Se2 and a molecular weight of 420.23 g/mol. Its IUPAC name is 5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran.

Molecular Properties

Compound Name5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran
PubChem CID12031580
Molecular FormulaC18H14O2Se2
Molecular Weight420.23 g/mol
Exact Mass421.93
IUPAC Name5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran
SMILESCc1ccc2oc([Se][Se]c3cc4cc(C)ccc4o3)cc2c1
InChIInChI=1S/C18H14O2Se2/c1-11-3-5-15-13(7-11)9-17(19-15)21-22-18-10-14-8-12(2)4-6-16(14)20-18/h3-10H,1-2H3
InChIKeyMEIJFCCMQLCTNB-UHFFFAOYSA-N
XLogP3.07
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
CID 159547054
CID 159547054
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-ol
CID 115836378
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
3-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504583
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
2-methyl-3-(5-methyl-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114733767
6-methyl-3-[(E)-prop-1-enyl]chromen-2-one
CID 135210411

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran?
The IUPAC name of 5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran (CID 12031580) is 5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran.
What is the SMILES notation for 5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran?
The canonical SMILES for 5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran is Cc1ccc2oc([Se][Se]c3cc4cc(C)ccc4o3)cc2c1.
What is the InChIKey of 5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran?
The InChIKey is MEIJFCCMQLCTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2Se2/c1-11-3-5-15-13(7-11)9-17(19-15)21-22-18-10-14-8-12(2)4-6-16(14)20-18/h3-10H,1-2H3.
What are the key properties of 5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran?
5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran has a molecular weight of 420.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methyl-1-benzofuran-2-yl)diselanyl]-1-benzofuran is sourced from PubChem (CID 12031580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).