2-[butoxy(methyl)phosphoryl]thiophene

C9H15O2PS — CID 13313748

IUPAC2-[butoxy(methyl)phosphoryl]thiophene
SMILESCCCCOP(C)(=O)c1cccs1
InChIInChI=1S/C9H15O2PS/c1-3-4-7-11-12(2,10)9-6-5-8-13-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeySROZLPYRLBQVDY-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.10
Rot. Bonds5

About 2-[butoxy(methyl)phosphoryl]thiophene

2-[butoxy(methyl)phosphoryl]thiophene (PubChem CID 13313748) has the molecular formula C9H15O2PS and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[butoxy(methyl)phosphoryl]thiophene.

Molecular Properties

Compound Name2-[butoxy(methyl)phosphoryl]thiophene
PubChem CID13313748
Molecular FormulaC9H15O2PS
Molecular Weight218.26 g/mol
Exact Mass218.05
IUPAC Name2-[butoxy(methyl)phosphoryl]thiophene
SMILESCCCCOP(C)(=O)c1cccs1
InChIInChI=1S/C9H15O2PS/c1-3-4-7-11-12(2,10)9-6-5-8-13-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeySROZLPYRLBQVDY-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[butoxy(methyl)phosphoryl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[butoxy(methyl)phosphoryl]thiophene?
The IUPAC name of 2-[butoxy(methyl)phosphoryl]thiophene (CID 13313748) is 2-[butoxy(methyl)phosphoryl]thiophene.
What is the SMILES notation for 2-[butoxy(methyl)phosphoryl]thiophene?
The canonical SMILES for 2-[butoxy(methyl)phosphoryl]thiophene is CCCCOP(C)(=O)c1cccs1.
What is the InChIKey of 2-[butoxy(methyl)phosphoryl]thiophene?
The InChIKey is SROZLPYRLBQVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2PS/c1-3-4-7-11-12(2,10)9-6-5-8-13-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-[butoxy(methyl)phosphoryl]thiophene?
2-[butoxy(methyl)phosphoryl]thiophene has a molecular weight of 218.26 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butoxy(methyl)phosphoryl]thiophene is sourced from PubChem (CID 13313748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).