2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol

C18H23O4PS — CID 171526563

IUPAC2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol
SMILESCCOP(OCC)SC(c1ccccc1O)c1ccccc1OC
InChIInChI=1S/C18H23O4PS/c1-4-21-23(22-5-2)24-18(14-10-6-8-12-16(14)19)15-11-7-9-13-17(15)20-3/h6-13,18-19H,4-5H2,1-3H3
InChIKeyZQWFIUWORIUZDD-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.52
Rot. Bonds9

About 2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol

2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol (PubChem CID 171526563) has the molecular formula C18H23O4PS and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol
PubChem CID171526563
Molecular FormulaC18H23O4PS
Molecular Weight366.42 g/mol
Exact Mass366.11
IUPAC Name2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol
SMILESCCOP(OCC)SC(c1ccccc1O)c1ccccc1OC
InChIInChI=1S/C18H23O4PS/c1-4-21-23(22-5-2)24-18(14-10-6-8-12-16(14)19)15-11-7-9-13-17(15)20-3/h6-13,18-19H,4-5H2,1-3H3
InChIKeyZQWFIUWORIUZDD-UHFFFAOYSA-N
XLogP5.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol?
The IUPAC name of 2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol (CID 171526563) is 2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol.
What is the SMILES notation for 2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol?
The canonical SMILES for 2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol is CCOP(OCC)SC(c1ccccc1O)c1ccccc1OC.
What is the InChIKey of 2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol?
The InChIKey is ZQWFIUWORIUZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4PS/c1-4-21-23(22-5-2)24-18(14-10-6-8-12-16(14)19)15-11-7-9-13-17(15)20-3/h6-13,18-19H,4-5H2,1-3H3.
What are the key properties of 2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol?
2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol has a molecular weight of 366.42 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphanylsulfanyl-(2-methoxyphenyl)methyl]phenol is sourced from PubChem (CID 171526563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).