1-(phenylselanylmethyl)naphthalene

C17H14Se — CID 12681932

IUPAC1-(phenylselanylmethyl)naphthalene
SMILESc1ccc([Se]Cc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14Se/c1-2-10-16(11-3-1)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2
InChIKeyQEXISYVNSFZCFU-UHFFFAOYSA-N
MW297.26 g/mol
LogP3.37
Rot. Bonds3

About 1-(phenylselanylmethyl)naphthalene

1-(phenylselanylmethyl)naphthalene (PubChem CID 12681932) has the molecular formula C17H14Se and a molecular weight of 297.26 g/mol. Its IUPAC name is 1-(phenylselanylmethyl)naphthalene.

Molecular Properties

Compound Name1-(phenylselanylmethyl)naphthalene
PubChem CID12681932
Molecular FormulaC17H14Se
Molecular Weight297.26 g/mol
Exact Mass298.03
IUPAC Name1-(phenylselanylmethyl)naphthalene
SMILESc1ccc([Se]Cc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14Se/c1-2-10-16(11-3-1)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2
InChIKeyQEXISYVNSFZCFU-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 53.37
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-(benzylselanylmethyl)naphthalene
CID 154058407
1-phenylselanylnaphthalene
CID 11196823
2-(phenylselanylmethyl)benzoic acid
CID 16640973
CID 66760372
CID 66760372
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
CID 57419547
CID 57419547
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
CID 101404869
CID 101404869
azane;1-ethylnaphthalene
CID 19048185
bis(naphthalen-1-ylmethyl)azanium
CID 4663788
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
naphthalen-1-ylmethyl(triphenyl)phosphanium
CID 2734114

Frequently Asked Questions

What is the IUPAC name of 1-(phenylselanylmethyl)naphthalene?
The IUPAC name of 1-(phenylselanylmethyl)naphthalene (CID 12681932) is 1-(phenylselanylmethyl)naphthalene.
What is the SMILES notation for 1-(phenylselanylmethyl)naphthalene?
The canonical SMILES for 1-(phenylselanylmethyl)naphthalene is c1ccc([Se]Cc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(phenylselanylmethyl)naphthalene?
The InChIKey is QEXISYVNSFZCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Se/c1-2-10-16(11-3-1)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2.
What are the key properties of 1-(phenylselanylmethyl)naphthalene?
1-(phenylselanylmethyl)naphthalene has a molecular weight of 297.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylselanylmethyl)naphthalene is sourced from PubChem (CID 12681932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).