(1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol

C10H17O4PS — CID 125470976

IUPAC(1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol
SMILESCCOP(=O)(OCC)[C@](C)(O)c1cccs1
InChIInChI=1S/C10H17O4PS/c1-4-13-15(12,14-5-2)10(3,11)9-7-6-8-16-9/h6-8,11H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyBLSDMMNZPMJWOK-JTQLQIEISA-N
MW264.28 g/mol
LogP3.18
Rot. Bonds6

About (1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol

(1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol (PubChem CID 125470976) has the molecular formula C10H17O4PS and a molecular weight of 264.28 g/mol. Its IUPAC name is (1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name(1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol
PubChem CID125470976
Molecular FormulaC10H17O4PS
Molecular Weight264.28 g/mol
Exact Mass264.06
IUPAC Name(1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol
SMILESCCOP(=O)(OCC)[C@](C)(O)c1cccs1
InChIInChI=1S/C10H17O4PS/c1-4-13-15(12,14-5-2)10(3,11)9-7-6-8-16-9/h6-8,11H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyBLSDMMNZPMJWOK-JTQLQIEISA-N
XLogP3.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.18
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 (1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol?
The IUPAC name of (1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol (CID 125470976) is (1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol.
What is the SMILES notation for (1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol?
The canonical SMILES for (1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol is CCOP(=O)(OCC)[C@](C)(O)c1cccs1.
What is the InChIKey of (1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol?
The InChIKey is BLSDMMNZPMJWOK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17O4PS/c1-4-13-15(12,14-5-2)10(3,11)9-7-6-8-16-9/h6-8,11H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol?
(1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol has a molecular weight of 264.28 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-diethoxyphosphoryl-1-thiophen-2-ylethanol is sourced from PubChem (CID 125470976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).