bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate

C28H30O5Se4 — CID 175536149

IUPACbis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate
SMILESCOc1ccc([Se][Se]c2ccc(OC)cc2)cc1.COc1ccc([Se][Se]c2ccc(OC)cc2)cc1.O
InChIInChI=1S/2C14H14O2Se2.H2O/c2*1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14;/h2*3-10H,1-2H3;1H2
InChIKeyQNDRDZLNRMFPRJ-UHFFFAOYSA-N
MW762.38 g/mol
LogP1.13
Rot. Bonds10

About bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate

bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate (PubChem CID 175536149) has the molecular formula C28H30O5Se4 and a molecular weight of 762.38 g/mol. Its IUPAC name is bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate.

Molecular Properties

Compound Namebis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate
PubChem CID175536149
Molecular FormulaC28H30O5Se4
Molecular Weight762.38 g/mol
Exact Mass765.88
IUPAC Namebis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate
SMILESCOc1ccc([Se][Se]c2ccc(OC)cc2)cc1.COc1ccc([Se][Se]c2ccc(OC)cc2)cc1.O
InChIInChI=1S/2C14H14O2Se2.H2O/c2*1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14;/h2*3-10H,1-2H3;1H2
InChIKeyQNDRDZLNRMFPRJ-UHFFFAOYSA-N
XLogP1.13
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500762.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 154175564
CID 154175564
1-(bromomethylselanyl)-4-methoxybenzene
CID 15584664
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
CID 177430776
CID 177430776
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-[chloro(methoxy)methyl]-4-methoxybenzene
CID 15657443
CID 91526706
CID 91526706
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
(4-methoxyphenyl)-methylsulfanium
CID 135778928
(4-methoxyphenyl)-dimethylsilanylium
CID 100925483
1-(1-deuterio-1-protio(113C)ethyl)selanyl-4-methoxybenzene
CID 58500269

Frequently Asked Questions

What is the IUPAC name of bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate?
The IUPAC name of bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate (CID 175536149) is bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate.
What is the SMILES notation for bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate?
The canonical SMILES for bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate is COc1ccc([Se][Se]c2ccc(OC)cc2)cc1.COc1ccc([Se][Se]c2ccc(OC)cc2)cc1.O.
What is the InChIKey of bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate?
The InChIKey is QNDRDZLNRMFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14O2Se2.H2O/c2*1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14;/h2*3-10H,1-2H3;1H2.
What are the key properties of bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate?
bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate has a molecular weight of 762.38 g/mol, XLogP of 1.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methoxy-4-[(4-methoxyphenyl)diselanyl]benzene);hydrate is sourced from PubChem (CID 175536149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).