2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene

C13H16OSe — CID 15495842

IUPAC2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene
SMILESCC(C)(C)OC1C=Cc2ccccc2[Se]1
InChIInChI=1S/C13H16OSe/c1-13(2,3)14-12-9-8-10-6-4-5-7-11(10)15-12/h4-9,12H,1-3H3
InChIKeyJWYFGFDSHXOTQL-UHFFFAOYSA-N
MW267.23 g/mol
LogP2.18
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene

2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene (PubChem CID 15495842) has the molecular formula C13H16OSe and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene
PubChem CID15495842
Molecular FormulaC13H16OSe
Molecular Weight267.23 g/mol
Exact Mass268.04
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene
SMILESCC(C)(C)OC1C=Cc2ccccc2[Se]1
InChIInChI=1S/C13H16OSe/c1-13(2,3)14-12-9-8-10-6-4-5-7-11(10)15-12/h4-9,12H,1-3H3
InChIKeyJWYFGFDSHXOTQL-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.18
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

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CID 12835312
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
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1-(2-fluoropropan-2-yl)-1H-indene
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1-[2-(1H-inden-1-yl)hex-5-yn-2-yl]-1H-indene
CID 59397611
bis(1H-inden-1-yl)-dimethylsilane
CID 599429
7H-benzo[7]annulen-7-ol
CID 130126400
1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene
CID 18927453
(1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol
CID 135042967
N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 102513812
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene (CID 15495842) is 2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene is CC(C)(C)OC1C=Cc2ccccc2[Se]1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene?
The InChIKey is JWYFGFDSHXOTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OSe/c1-13(2,3)14-12-9-8-10-6-4-5-7-11(10)15-12/h4-9,12H,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene?
2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene has a molecular weight of 267.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-2H-selenochromene is sourced from PubChem (CID 15495842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).