bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid

C18H23O2PS — CID 57380509

IUPACbis[2-(4-methoxyphenyl)ethyl]phosphinothious acid
SMILESCOc1ccc(CCP(S)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23O2PS/c1-19-17-7-3-15(4-8-17)11-13-21(22)14-12-16-5-9-18(20-2)10-6-16/h3-10,22H,11-14H2,1-2H3
InChIKeyHDNSPCYZYKBWAC-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.82
Rot. Bonds8

About bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid

bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid (PubChem CID 57380509) has the molecular formula C18H23O2PS and a molecular weight of 334.42 g/mol. Its IUPAC name is bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid.

Molecular Properties

Compound Namebis[2-(4-methoxyphenyl)ethyl]phosphinothious acid
PubChem CID57380509
Molecular FormulaC18H23O2PS
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Namebis[2-(4-methoxyphenyl)ethyl]phosphinothious acid
SMILESCOc1ccc(CCP(S)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23O2PS/c1-19-17-7-3-15(4-8-17)11-13-21(22)14-12-16-5-9-18(20-2)10-6-16/h3-10,22H,11-14H2,1-2H3
InChIKeyHDNSPCYZYKBWAC-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone
CID 156754272
ethane;1-methoxy-4-propylbenzene
CID 142085762
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide
CID 11830333
ethane;(4-methoxyphenyl)methanethiol
CID 143963839
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
bis[2-(4-methoxyphenyl)ethyl]-selanylidene-sulfanyl-λ5-phosphane
CID 50917496
2-[2-(4-methoxyphenyl)ethyl]adamantane
CID 158701742
1-methoxy-4-[(4-methoxyphenyl)methyltellanylmethyl]benzene;dihydrobromide
CID 88746382
(4-methoxyphenyl)methyl hypobromite
CID 166766888

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid?
The IUPAC name of bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid (CID 57380509) is bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid.
What is the SMILES notation for bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid?
The canonical SMILES for bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid is COc1ccc(CCP(S)CCc2ccc(OC)cc2)cc1.
What is the InChIKey of bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid?
The InChIKey is HDNSPCYZYKBWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2PS/c1-19-17-7-3-15(4-8-17)11-13-21(22)14-12-16-5-9-18(20-2)10-6-16/h3-10,22H,11-14H2,1-2H3.
What are the key properties of bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid?
bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid has a molecular weight of 334.42 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-methoxyphenyl)ethyl]phosphinothious acid is sourced from PubChem (CID 57380509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).