1-(benzylselanylmethyl)-2-methylbenzene

C15H16Se — CID 10039052

IUPAC1-(benzylselanylmethyl)-2-methylbenzene
SMILESCc1ccccc1C[Se]Cc1ccccc1
InChIInChI=1S/C15H16Se/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyTXOQTFDKDDMAKL-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.40
Rot. Bonds4

About 1-(benzylselanylmethyl)-2-methylbenzene

1-(benzylselanylmethyl)-2-methylbenzene (PubChem CID 10039052) has the molecular formula C15H16Se and a molecular weight of 275.25 g/mol. Its IUPAC name is 1-(benzylselanylmethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(benzylselanylmethyl)-2-methylbenzene
PubChem CID10039052
Molecular FormulaC15H16Se
Molecular Weight275.25 g/mol
Exact Mass276.04
IUPAC Name1-(benzylselanylmethyl)-2-methylbenzene
SMILESCc1ccccc1C[Se]Cc1ccccc1
InChIInChI=1S/C15H16Se/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyTXOQTFDKDDMAKL-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.40
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-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1,2,3,4,5,6-hexakis(benzylselanylmethyl)benzene
CID 4054244
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene
CID 70442876
2-(2-methylphenyl)acetic acid
CID 67440217
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
1-(chloromethyl)-2-methylbenzene
CID 11093
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327
(2-methylphenyl)methyl-triphenylphosphanium iodide
CID 169490817

Frequently Asked Questions

What is the IUPAC name of 1-(benzylselanylmethyl)-2-methylbenzene?
The IUPAC name of 1-(benzylselanylmethyl)-2-methylbenzene (CID 10039052) is 1-(benzylselanylmethyl)-2-methylbenzene.
What is the SMILES notation for 1-(benzylselanylmethyl)-2-methylbenzene?
The canonical SMILES for 1-(benzylselanylmethyl)-2-methylbenzene is Cc1ccccc1C[Se]Cc1ccccc1.
What is the InChIKey of 1-(benzylselanylmethyl)-2-methylbenzene?
The InChIKey is TXOQTFDKDDMAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Se/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-(benzylselanylmethyl)-2-methylbenzene?
1-(benzylselanylmethyl)-2-methylbenzene has a molecular weight of 275.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylselanylmethyl)-2-methylbenzene is sourced from PubChem (CID 10039052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).