phenol;thiophene;triethyl(formyl)phosphanium

C17H26O2PS+ — CID 174671826

IUPACphenol;thiophene;triethyl(formyl)phosphanium
SMILESCC[P+](C=O)(CC)CC.Oc1ccccc1.c1ccsc1
InChIInChI=1S/C7H16OP.C6H6O.C4H4S/c1-4-9(5-2,6-3)7-8;7-6-4-2-1-3-5-6;1-2-4-5-3-1/h7H,4-6H2,1-3H3;1-5,7H;1-4H/q+1;;
InChIKeyJGAKXMYDRDIQRJ-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.39
Rot. Bonds4

About phenol;thiophene;triethyl(formyl)phosphanium

phenol;thiophene;triethyl(formyl)phosphanium (PubChem CID 174671826) has the molecular formula C17H26O2PS+ and a molecular weight of 325.43 g/mol. Its IUPAC name is phenol;thiophene;triethyl(formyl)phosphanium.

Molecular Properties

Compound Namephenol;thiophene;triethyl(formyl)phosphanium
PubChem CID174671826
Molecular FormulaC17H26O2PS+
Molecular Weight325.43 g/mol
Exact Mass325.14
IUPAC Namephenol;thiophene;triethyl(formyl)phosphanium
SMILESCC[P+](C=O)(CC)CC.Oc1ccccc1.c1ccsc1
InChIInChI=1S/C7H16OP.C6H6O.C4H4S/c1-4-9(5-2,6-3)7-8;7-6-4-2-1-3-5-6;1-2-4-5-3-1/h7H,4-6H2,1-3H3;1-5,7H;1-4H/q+1;;
InChIKeyJGAKXMYDRDIQRJ-UHFFFAOYSA-N
XLogP5.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenol;thiophene;triethyl(formyl)phosphanium with MolForge

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

Launch Full Analysis

Related Compounds

2-methylpentanal;phenol
CID 174274492
benzene;phenol;propane
CID 157176896
methanol;phenol;propane
CID 91268562
acetic acid;phenol
CID 70537927
ethane;ethanol;phenol
CID 90945596
ethane;ethanol;phenol
CID 90921217
acetic acid;chlorobenzene;thiophene
CID 174583245
ethane;phenol
CID 161156308
molecular oxygen;phenol
CID 141080591
phenol;propanoyl chloride
CID 174946561
zinc;phenol;propanoate
CID 174753936
dodecane;phenol
CID 157210063

Frequently Asked Questions

What is the IUPAC name of phenol;thiophene;triethyl(formyl)phosphanium?
The IUPAC name of phenol;thiophene;triethyl(formyl)phosphanium (CID 174671826) is phenol;thiophene;triethyl(formyl)phosphanium.
What is the SMILES notation for phenol;thiophene;triethyl(formyl)phosphanium?
The canonical SMILES for phenol;thiophene;triethyl(formyl)phosphanium is CC[P+](C=O)(CC)CC.Oc1ccccc1.c1ccsc1.
What is the InChIKey of phenol;thiophene;triethyl(formyl)phosphanium?
The InChIKey is JGAKXMYDRDIQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16OP.C6H6O.C4H4S/c1-4-9(5-2,6-3)7-8;7-6-4-2-1-3-5-6;1-2-4-5-3-1/h7H,4-6H2,1-3H3;1-5,7H;1-4H/q+1;;.
What are the key properties of phenol;thiophene;triethyl(formyl)phosphanium?
phenol;thiophene;triethyl(formyl)phosphanium has a molecular weight of 325.43 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;thiophene;triethyl(formyl)phosphanium is sourced from PubChem (CID 174671826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).