1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene

C16H18OSe — CID 122224983

IUPAC1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene
SMILESCOC(C[Se]c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H18OSe/c1-13-8-10-14(11-9-13)16(17-2)12-18-15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3
InChIKeyGKPCFJMVSVAYNZ-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.13
Rot. Bonds5

About 1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene

1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene (PubChem CID 122224983) has the molecular formula C16H18OSe and a molecular weight of 305.28 g/mol. Its IUPAC name is 1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene
PubChem CID122224983
Molecular FormulaC16H18OSe
Molecular Weight305.28 g/mol
Exact Mass306.05
IUPAC Name1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene
SMILESCOC(C[Se]c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H18OSe/c1-13-8-10-14(11-9-13)16(17-2)12-18-15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3
InChIKeyGKPCFJMVSVAYNZ-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.13
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

1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene
CID 57166946
(2-benzylselanyl-1-methoxyethyl)benzene
CID 15257784
2-methylpropylselanylbenzene
CID 12544088
1-[bis(phenylselanyl)methyl]-4-methylbenzene
CID 86034918
ethyl 2-(4-methylphenyl)-2-phenylselanylacetate
CID 15180539
5-methoxy-1,3-dimethyl-2-(1-phenyl-2-phenylselanylethyl)benzene
CID 156781397
1-(1-methoxyhex-5-enyl)-4-phenylbenzene
CID 163855883
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
(2R)-2-methoxy-2-phenylethanol
CID 6950345
N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine
CID 158184053
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
1,1-dimethoxypropane;toluene
CID 91421331

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene?
The IUPAC name of 1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene (CID 122224983) is 1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene?
The canonical SMILES for 1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene is COC(C[Se]c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene?
The InChIKey is GKPCFJMVSVAYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OSe/c1-13-8-10-14(11-9-13)16(17-2)12-18-15-6-4-3-5-7-15/h3-11,16H,12H2,1-2H3.
What are the key properties of 1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene?
1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene has a molecular weight of 305.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene is sourced from PubChem (CID 122224983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).