[2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate

C17H18O2Se2 — CID 139266548

IUPAC[2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate
SMILESC[Se]Cc1ccccc1[Se]c1ccccc1COC(C)=O
InChIInChI=1S/C17H18O2Se2/c1-13(18)19-11-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)12-20-2/h3-10H,11-12H2,1-2H3
InChIKeyHCGPAIPCFDQUMK-UHFFFAOYSA-N
MW412.25 g/mol
LogP1.66
Rot. Bonds6

About [2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate

[2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate (PubChem CID 139266548) has the molecular formula C17H18O2Se2 and a molecular weight of 412.25 g/mol. Its IUPAC name is [2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate.

Molecular Properties

Compound Name[2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate
PubChem CID139266548
Molecular FormulaC17H18O2Se2
Molecular Weight412.25 g/mol
Exact Mass413.96
IUPAC Name[2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate
SMILESC[Se]Cc1ccccc1[Se]c1ccccc1COC(C)=O
InChIInChI=1S/C17H18O2Se2/c1-13(18)19-11-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)12-20-2/h3-10H,11-12H2,1-2H3
InChIKeyHCGPAIPCFDQUMK-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2-methylphenyl)methyl acetate
CID 143177732
[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
(2-sulfanylphenyl)methyl acetate
CID 118370744
(2-acetyloxyphenyl)methyl acetate
CID 10889107
(2-propylphenyl)methyl acetate
CID 18363688
[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
CID 102370759
2-(acetyloxymethyl)benzenesulfonic acid
CID 154193734
[2-(acetyloxymethyl)phenyl] 2-methylpropanoate
CID 170949242
[2-[acetyl(methyl)amino]phenyl]methyl acetate
CID 13244169
benzyl acetate
CID 8785
benzyl acetate;carbon monoxide;chromium
CID 11196913
[2-(benzylamino)phenyl]methyl acetate
CID 174839989

Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate?
The IUPAC name of [2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate (CID 139266548) is [2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate.
What is the SMILES notation for [2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate?
The canonical SMILES for [2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate is C[Se]Cc1ccccc1[Se]c1ccccc1COC(C)=O.
What is the InChIKey of [2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate?
The InChIKey is HCGPAIPCFDQUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2Se2/c1-13(18)19-11-14-7-3-5-9-16(14)21-17-10-6-4-8-15(17)12-20-2/h3-10H,11-12H2,1-2H3.
What are the key properties of [2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate?
[2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate has a molecular weight of 412.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylselanylmethyl)phenyl]selanylphenyl]methyl acetate is sourced from PubChem (CID 139266548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).