2,4-bis(phenylselanyl)phenol

C18H14OSe2 — CID 10883965

IUPAC2,4-bis(phenylselanyl)phenol
SMILESOc1ccc([Se]c2ccccc2)cc1[Se]c1ccccc1
InChIInChI=1S/C18H14OSe2/c19-17-12-11-16(20-14-7-3-1-4-8-14)13-18(17)21-15-9-5-2-6-10-15/h1-13,19H
InChIKeyBJPDLNAJRQLKIF-UHFFFAOYSA-N
MW404.23 g/mol
LogP0.70
Rot. Bonds4

About 2,4-bis(phenylselanyl)phenol

2,4-bis(phenylselanyl)phenol (PubChem CID 10883965) has the molecular formula C18H14OSe2 and a molecular weight of 404.23 g/mol. Its IUPAC name is 2,4-bis(phenylselanyl)phenol.

Molecular Properties

Compound Name2,4-bis(phenylselanyl)phenol
PubChem CID10883965
Molecular FormulaC18H14OSe2
Molecular Weight404.23 g/mol
Exact Mass405.94
IUPAC Name2,4-bis(phenylselanyl)phenol
SMILESOc1ccc([Se]c2ccccc2)cc1[Se]c1ccccc1
InChIInChI=1S/C18H14OSe2/c19-17-12-11-16(20-14-7-3-1-4-8-14)13-18(17)21-15-9-5-2-6-10-15/h1-13,19H
InChIKeyBJPDLNAJRQLKIF-UHFFFAOYSA-N
XLogP0.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-2-phenylselanylphenol
CID 138979185
2-phenylselanylnaphthalene
CID 10062344
phenylselanylbenzene;dihydrochloride
CID 173104242
phenylselanylbenzene;dihydrochloride
CID 87206847
formaldehyde;phenylselanylbenzene
CID 174430151
1-phenylselanylnaphthalen-2-ol
CID 12698118
2-tert-butyl-3,5-bis(phenylselanyl)pyridine
CID 10837045
1,2-dimethoxy-4,5-bis(phenylselanyl)benzene
CID 15257774
2-phenylselanylbenzoic acid
CID 12742540
1-chloro-2-phenylselanylbenzene
CID 11054651
1-(2-phenylethynyl)-2-phenylselanylbenzene
CID 102230888
3,5-dimethyl-4-phenylselanylphenol
CID 10912804

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(phenylselanyl)phenol?
The IUPAC name of 2,4-bis(phenylselanyl)phenol (CID 10883965) is 2,4-bis(phenylselanyl)phenol.
What is the SMILES notation for 2,4-bis(phenylselanyl)phenol?
The canonical SMILES for 2,4-bis(phenylselanyl)phenol is Oc1ccc([Se]c2ccccc2)cc1[Se]c1ccccc1.
What is the InChIKey of 2,4-bis(phenylselanyl)phenol?
The InChIKey is BJPDLNAJRQLKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OSe2/c19-17-12-11-16(20-14-7-3-1-4-8-14)13-18(17)21-15-9-5-2-6-10-15/h1-13,19H.
What are the key properties of 2,4-bis(phenylselanyl)phenol?
2,4-bis(phenylselanyl)phenol has a molecular weight of 404.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(phenylselanyl)phenol is sourced from PubChem (CID 10883965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).