potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane

C18H22KO2PSSe — CID 71613554

IUPACpotassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane
SMILESCOc1ccc(CCP([S-])(=[Se])CCc2ccc(OC)cc2)cc1.[K+]
InChIInChI=1S/C18H23O2PSSe.K/c1-19-17-7-3-15(4-8-17)11-13-21(22,23)14-12-16-5-9-18(20-2)10-6-16;/h3-10H,11-14H2,1-2H3,(H,22,23);/q;+1/p-1
InChIKeyXUQXCXPUPJAHIY-UHFFFAOYSA-M
MW451.47 g/mol
LogP1.06
Rot. Bonds8

About potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane

potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane (PubChem CID 71613554) has the molecular formula C18H22KO2PSSe and a molecular weight of 451.47 g/mol. Its IUPAC name is potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namepotassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane
PubChem CID71613554
Molecular FormulaC18H22KO2PSSe
Molecular Weight451.47 g/mol
Exact Mass451.99
IUPAC Namepotassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane
SMILESCOc1ccc(CCP([S-])(=[Se])CCc2ccc(OC)cc2)cc1.[K+]
InChIInChI=1S/C18H23O2PSSe.K/c1-19-17-7-3-15(4-8-17)11-13-21(22,23)14-12-16-5-9-18(20-2)10-6-16;/h3-10H,11-14H2,1-2H3,(H,22,23);/q;+1/p-1
InChIKeyXUQXCXPUPJAHIY-UHFFFAOYSA-M
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfanyl-λ5-phosphane
CID 50917496
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2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide
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1-methoxy-4-[(E)-pent-3-enyl]benzene
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1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
1-methoxy-4-(4-phenylbutyl)benzene
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ethanamine;1-methoxy-4-propylbenzene
CID 19382800
1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide
CID 88746382
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
potassium;ethane;1-methanidyl-4-methoxybenzene;1-methoxy-4-propylbenzene
CID 172578075
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814

Frequently Asked Questions

What is the IUPAC name of potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane?
The IUPAC name of potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane (CID 71613554) is potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane?
The canonical SMILES for potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane is COc1ccc(CCP([S-])(=[Se])CCc2ccc(OC)cc2)cc1.[K+].
What is the InChIKey of potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane?
The InChIKey is XUQXCXPUPJAHIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H23O2PSSe.K/c1-19-17-7-3-15(4-8-17)11-13-21(22,23)14-12-16-5-9-18(20-2)10-6-16;/h3-10H,11-14H2,1-2H3,(H,22,23);/q;+1/p-1.
What are the key properties of potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane?
potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane has a molecular weight of 451.47 g/mol, XLogP of 1.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 71613554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).