1,2-dimethoxy-4,5-bis(phenylselanyl)benzene

C20H18O2Se2 — CID 15257774

IUPAC1,2-dimethoxy-4,5-bis(phenylselanyl)benzene
SMILESCOc1cc([Se]c2ccccc2)c([Se]c2ccccc2)cc1OC
InChIInChI=1S/C20H18O2Se2/c1-21-17-13-19(23-15-9-5-3-6-10-15)20(14-18(17)22-2)24-16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyILSVNMHWUSGSBJ-UHFFFAOYSA-N
MW448.28 g/mol
LogP1.01
Rot. Bonds6

About 1,2-dimethoxy-4,5-bis(phenylselanyl)benzene

1,2-dimethoxy-4,5-bis(phenylselanyl)benzene (PubChem CID 15257774) has the molecular formula C20H18O2Se2 and a molecular weight of 448.28 g/mol. Its IUPAC name is 1,2-dimethoxy-4,5-bis(phenylselanyl)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4,5-bis(phenylselanyl)benzene
PubChem CID15257774
Molecular FormulaC20H18O2Se2
Molecular Weight448.28 g/mol
Exact Mass449.96
IUPAC Name1,2-dimethoxy-4,5-bis(phenylselanyl)benzene
SMILESCOc1cc([Se]c2ccccc2)c([Se]c2ccccc2)cc1OC
InChIInChI=1S/C20H18O2Se2/c1-21-17-13-19(23-15-9-5-3-6-10-15)20(14-18(17)22-2)24-16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyILSVNMHWUSGSBJ-UHFFFAOYSA-N
XLogP1.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.28
LogP ≤ 51.01
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

4-methoxy-10-phenylselanylphenanthrene
CID 71605623
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
1-chloro-2-(4-methoxyphenyl)selanylbenzene
CID 102522970
phenylselanylbenzene;dihydrochloride
CID 173104242
1-phenylselanylnaphthalene
CID 11196823
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
1-bromo-2-methoxybenzene;ethane
CID 91096433
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
1,2,3-trimethoxy-5-[(E)-2-phenylselanylethenyl]benzene
CID 46201364
2-(4-methoxyphenyl)selanylbenzonitrile
CID 132525672

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4,5-bis(phenylselanyl)benzene?
The IUPAC name of 1,2-dimethoxy-4,5-bis(phenylselanyl)benzene (CID 15257774) is 1,2-dimethoxy-4,5-bis(phenylselanyl)benzene.
What is the SMILES notation for 1,2-dimethoxy-4,5-bis(phenylselanyl)benzene?
The canonical SMILES for 1,2-dimethoxy-4,5-bis(phenylselanyl)benzene is COc1cc([Se]c2ccccc2)c([Se]c2ccccc2)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4,5-bis(phenylselanyl)benzene?
The InChIKey is ILSVNMHWUSGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2Se2/c1-21-17-13-19(23-15-9-5-3-6-10-15)20(14-18(17)22-2)24-16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of 1,2-dimethoxy-4,5-bis(phenylselanyl)benzene?
1,2-dimethoxy-4,5-bis(phenylselanyl)benzene has a molecular weight of 448.28 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4,5-bis(phenylselanyl)benzene is sourced from PubChem (CID 15257774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).