(2-phenyl-2-phenylmethoxyethyl)selanylbenzene

C21H20OSe — CID 122224986

IUPAC(2-phenyl-2-phenylmethoxyethyl)selanylbenzene
SMILESc1ccc(COC(C[Se]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20OSe/c1-4-10-18(11-5-1)16-22-21(19-12-6-2-7-13-19)17-23-20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyUBMVXYDHTTYFKO-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.39
Rot. Bonds7

About (2-phenyl-2-phenylmethoxyethyl)selanylbenzene

(2-phenyl-2-phenylmethoxyethyl)selanylbenzene (PubChem CID 122224986) has the molecular formula C21H20OSe and a molecular weight of 367.35 g/mol. Its IUPAC name is (2-phenyl-2-phenylmethoxyethyl)selanylbenzene.

Molecular Properties

Compound Name(2-phenyl-2-phenylmethoxyethyl)selanylbenzene
PubChem CID122224986
Molecular FormulaC21H20OSe
Molecular Weight367.35 g/mol
Exact Mass368.07
IUPAC Name(2-phenyl-2-phenylmethoxyethyl)selanylbenzene
SMILESc1ccc(COC(C[Se]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20OSe/c1-4-10-18(11-5-1)16-22-21(19-12-6-2-7-13-19)17-23-20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyUBMVXYDHTTYFKO-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.39
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

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CID 11437288
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CID 174718709
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CID 10946388
2-(4-chlorophenyl)-2-phenylmethoxyethanol
CID 15497795
[(2S,3S)-5-methyl-3-phenylhex-4-en-2-yl]oxymethylbenzene
CID 11119498
1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009
[(1R)-1-phenylmethoxyprop-2-ynyl]benzene
CID 177433534
1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene
CID 122533474
2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
CID 62107358
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079
2-methylpropylselanylbenzene
CID 12544088
2-phenyl-2-phenylmethoxyacetaldehyde
CID 11117750

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-2-phenylmethoxyethyl)selanylbenzene?
The IUPAC name of (2-phenyl-2-phenylmethoxyethyl)selanylbenzene (CID 122224986) is (2-phenyl-2-phenylmethoxyethyl)selanylbenzene.
What is the SMILES notation for (2-phenyl-2-phenylmethoxyethyl)selanylbenzene?
The canonical SMILES for (2-phenyl-2-phenylmethoxyethyl)selanylbenzene is c1ccc(COC(C[Se]c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-phenyl-2-phenylmethoxyethyl)selanylbenzene?
The InChIKey is UBMVXYDHTTYFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20OSe/c1-4-10-18(11-5-1)16-22-21(19-12-6-2-7-13-19)17-23-20-14-8-3-9-15-20/h1-15,21H,16-17H2.
What are the key properties of (2-phenyl-2-phenylmethoxyethyl)selanylbenzene?
(2-phenyl-2-phenylmethoxyethyl)selanylbenzene has a molecular weight of 367.35 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-2-phenylmethoxyethyl)selanylbenzene is sourced from PubChem (CID 122224986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).