(4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate

C14H12Br2O5Se2 — CID 162716902

IUPAC(4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate
SMILESO=[Se](=O)(Cc1ccc(Br)cc1)O[Se](=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H12Br2O5Se2/c15-13-5-1-11(2-6-13)9-22(17,18)21-23(19,20)10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeySEOLAHCLMIIJNV-UHFFFAOYSA-N
MW577.97 g/mol
LogP3.69
Rot. Bonds6

About (4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate

(4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate (PubChem CID 162716902) has the molecular formula C14H12Br2O5Se2 and a molecular weight of 577.97 g/mol. Its IUPAC name is (4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate.

Molecular Properties

Compound Name(4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate
PubChem CID162716902
Molecular FormulaC14H12Br2O5Se2
Molecular Weight577.97 g/mol
Exact Mass577.74
IUPAC Name(4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate
SMILESO=[Se](=O)(Cc1ccc(Br)cc1)O[Se](=O)(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H12Br2O5Se2/c15-13-5-1-11(2-6-13)9-22(17,18)21-23(19,20)10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
InChIKeySEOLAHCLMIIJNV-UHFFFAOYSA-N
XLogP3.69
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.97
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 11811178
CID 11811178
1-bromo-4-(bromomethyl)benzene;hydrofluoride
CID 175432482
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-bromo-4-(2,2-dimethoxyethyl)benzene
CID 11550515
(4-bromophenyl)methyl-oxosulfanium
CID 158930689
1-bromo-4-ethylbenzene
CID 20805498
1-bromo-4-ethylbenzene
CID 15313
(4-bromophenyl)methylazanium
CID 6951353
(4-bromophenyl)methyl-ethoxy-oxoazanium
CID 177218616
1,4-dibromobenzene;oxostibane
CID 173366156
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
methyl (2R)-2-amino-3-(4-bromophenyl)-2-methylpropanoate;hydrochloride
CID 56972079

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate?
The IUPAC name of (4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate (CID 162716902) is (4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate.
What is the SMILES notation for (4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate?
The canonical SMILES for (4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate is O=[Se](=O)(Cc1ccc(Br)cc1)O[Se](=O)(=O)Cc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate?
The InChIKey is SEOLAHCLMIIJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O5Se2/c15-13-5-1-11(2-6-13)9-22(17,18)21-23(19,20)10-12-3-7-14(16)8-4-12/h1-8H,9-10H2.
What are the key properties of (4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate?
(4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate has a molecular weight of 577.97 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methylselenonyl (4-bromophenyl)methaneselenonate is sourced from PubChem (CID 162716902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).