6-butan-2-yloxy-1-benzoselenophene

C12H14OSe — CID 87575596

IUPAC6-butan-2-yloxy-1-benzoselenophene
SMILESCCC(C)Oc1ccc2cc[se]c2c1
InChIInChI=1S/C12H14OSe/c1-3-9(2)13-11-5-4-10-6-7-14-12(10)8-11/h4-9H,3H2,1-2H3
InChIKeyOWCZIJQZWRVBFI-UHFFFAOYSA-N
MW253.20 g/mol
LogP3.07
Rot. Bonds3

About 6-butan-2-yloxy-1-benzoselenophene

6-butan-2-yloxy-1-benzoselenophene (PubChem CID 87575596) has the molecular formula C12H14OSe and a molecular weight of 253.20 g/mol. Its IUPAC name is 6-butan-2-yloxy-1-benzoselenophene.

Molecular Properties

Compound Name6-butan-2-yloxy-1-benzoselenophene
PubChem CID87575596
Molecular FormulaC12H14OSe
Molecular Weight253.20 g/mol
Exact Mass254.02
IUPAC Name6-butan-2-yloxy-1-benzoselenophene
SMILESCCC(C)Oc1ccc2cc[se]c2c1
InChIInChI=1S/C12H14OSe/c1-3-9(2)13-11-5-4-10-6-7-14-12(10)8-11/h4-9H,3H2,1-2H3
InChIKeyOWCZIJQZWRVBFI-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-butan-2-yloxy-1-benzotellurophene
CID 87575526
7-butan-2-yloxynaphthalen-2-ol
CID 43143670
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
6-butan-2-yloxynaphthalene-2-sulfonyl chloride
CID 135175462
2-bromo-4-butan-2-yloxy-1-methylbenzene
CID 127004858
4-butan-2-yloxyaniline
CID 13097722
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
lithium [2,4-di(butan-2-yloxy)phenyl]phosphanide
CID 141016038
4-butan-2-yloxybenzoic acid
CID 5132695
5-butan-2-yloxy-2-benzofuran-1,3-dione
CID 139672180
(4-butan-2-yloxy-2-methylphenyl)-trifluoroboranuide
CID 83135004
4-butan-2-yloxy-N-methylaniline
CID 54803415

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-1-benzoselenophene?
The IUPAC name of 6-butan-2-yloxy-1-benzoselenophene (CID 87575596) is 6-butan-2-yloxy-1-benzoselenophene.
What is the SMILES notation for 6-butan-2-yloxy-1-benzoselenophene?
The canonical SMILES for 6-butan-2-yloxy-1-benzoselenophene is CCC(C)Oc1ccc2cc[se]c2c1.
What is the InChIKey of 6-butan-2-yloxy-1-benzoselenophene?
The InChIKey is OWCZIJQZWRVBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OSe/c1-3-9(2)13-11-5-4-10-6-7-14-12(10)8-11/h4-9H,3H2,1-2H3.
What are the key properties of 6-butan-2-yloxy-1-benzoselenophene?
6-butan-2-yloxy-1-benzoselenophene has a molecular weight of 253.20 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-1-benzoselenophene is sourced from PubChem (CID 87575596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).