5-di(propan-2-yloxy)phosphoryl-1-benzothiophene

C14H19O3PS — CID 71601606

IUPAC5-di(propan-2-yloxy)phosphoryl-1-benzothiophene
SMILESCC(C)OP(=O)(OC(C)C)c1ccc2sccc2c1
InChIInChI=1S/C14H19O3PS/c1-10(2)16-18(15,17-11(3)4)13-5-6-14-12(9-13)7-8-19-14/h5-11H,1-4H3
InChIKeyLIOOHARVEBKJSQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.57
Rot. Bonds5

About 5-di(propan-2-yloxy)phosphoryl-1-benzothiophene

5-di(propan-2-yloxy)phosphoryl-1-benzothiophene (PubChem CID 71601606) has the molecular formula C14H19O3PS and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-di(propan-2-yloxy)phosphoryl-1-benzothiophene.

Molecular Properties

Compound Name5-di(propan-2-yloxy)phosphoryl-1-benzothiophene
PubChem CID71601606
Molecular FormulaC14H19O3PS
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name5-di(propan-2-yloxy)phosphoryl-1-benzothiophene
SMILESCC(C)OP(=O)(OC(C)C)c1ccc2sccc2c1
InChIInChI=1S/C14H19O3PS/c1-10(2)16-18(15,17-11(3)4)13-5-6-14-12(9-13)7-8-19-14/h5-11H,1-4H3
InChIKeyLIOOHARVEBKJSQ-UHFFFAOYSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-3-methyl-1-benzothiophene
CID 24946049
2-[2-(3,4-Difluorophenyl)-1-di(propan-2-yloxy)phosphorylethyl]-3-methyl-1-benzothiophene
CID 24947477
2-[1-Diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-propan-2-yl-1-benzothiophene
CID 24947478
2-[1-Diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-methyl-1-benzothiophene
CID 24947851
3-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-5-fluoro-1-benzothiophene
CID 57413839
2-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzothiophene
CID 24946050
2-[1-Diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-1-benzothiophene
CID 24946758
2-[1-Diethoxyphosphoryl-2-(3-fluorophenyl)ethyl]-3-methyl-1-benzothiophene
CID 24947667
2-[1-Diethoxyphosphoryl-2-(3,5-difluorophenyl)ethyl]-3-methyl-1-benzothiophene
CID 24948035
2-[1-Diethoxyphosphoryl-2-(3-methylphenyl)ethyl]-3-methyl-1-benzothiophene
CID 24948036
2-[1-Diethoxyphosphoryl-2-(2-fluorophenyl)ethyl]-3-methyl-1-benzothiophene
CID 24948040
2-(1-Diethoxyphosphoryl-2-phenylethyl)-3-methyl-1-benzothiophene
CID 70689585

Frequently Asked Questions

What is the IUPAC name of 5-di(propan-2-yloxy)phosphoryl-1-benzothiophene?
The IUPAC name of 5-di(propan-2-yloxy)phosphoryl-1-benzothiophene (CID 71601606) is 5-di(propan-2-yloxy)phosphoryl-1-benzothiophene.
What is the SMILES notation for 5-di(propan-2-yloxy)phosphoryl-1-benzothiophene?
The canonical SMILES for 5-di(propan-2-yloxy)phosphoryl-1-benzothiophene is CC(C)OP(=O)(OC(C)C)c1ccc2sccc2c1.
What is the InChIKey of 5-di(propan-2-yloxy)phosphoryl-1-benzothiophene?
The InChIKey is LIOOHARVEBKJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O3PS/c1-10(2)16-18(15,17-11(3)4)13-5-6-14-12(9-13)7-8-19-14/h5-11H,1-4H3.
What are the key properties of 5-di(propan-2-yloxy)phosphoryl-1-benzothiophene?
5-di(propan-2-yloxy)phosphoryl-1-benzothiophene has a molecular weight of 298.34 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-di(propan-2-yloxy)phosphoryl-1-benzothiophene is sourced from PubChem (CID 71601606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).