1-phenylselanyl-1,2,3,4-tetrahydronaphthalene

C16H16Se — CID 10613263

IUPAC1-phenylselanyl-1,2,3,4-tetrahydronaphthalene
SMILESc1ccc([Se]C2CCCc3ccccc32)cc1
InChIInChI=1S/C16H16Se/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11,16H,6,8,12H2
InChIKeyFMONPGUJTQVMOK-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.09
Rot. Bonds2

About 1-phenylselanyl-1,2,3,4-tetrahydronaphthalene

1-phenylselanyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 10613263) has the molecular formula C16H16Se and a molecular weight of 287.26 g/mol. Its IUPAC name is 1-phenylselanyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-phenylselanyl-1,2,3,4-tetrahydronaphthalene
PubChem CID10613263
Molecular FormulaC16H16Se
Molecular Weight287.26 g/mol
Exact Mass288.04
IUPAC Name1-phenylselanyl-1,2,3,4-tetrahydronaphthalene
SMILESc1ccc([Se]C2CCCc3ccccc32)cc1
InChIInChI=1S/C16H16Se/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11,16H,6,8,12H2
InChIKeyFMONPGUJTQVMOK-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 10881240
N-(1,2,3,4-tetrahydronaphthalen-1-yloxy)methanimine
CID 174418938
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
1-(1-phenylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 173460746

Frequently Asked Questions

What is the IUPAC name of 1-phenylselanyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-phenylselanyl-1,2,3,4-tetrahydronaphthalene (CID 10613263) is 1-phenylselanyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-phenylselanyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-phenylselanyl-1,2,3,4-tetrahydronaphthalene is c1ccc([Se]C2CCCc3ccccc32)cc1.
What is the InChIKey of 1-phenylselanyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FMONPGUJTQVMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Se/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-11,16H,6,8,12H2.
What are the key properties of 1-phenylselanyl-1,2,3,4-tetrahydronaphthalene?
1-phenylselanyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 287.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 10613263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).