ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium

C7H10O2PS+ — CID 174318341

IUPACethyl-oxo-(thiophen-2-ylmethoxy)phosphanium
SMILESCC[P+](=O)OCc1cccs1
InChIInChI=1S/C7H10O2PS/c1-2-10(8)9-6-7-4-3-5-11-7/h3-5H,2,6H2,1H3/q+1
InChIKeyCWEITZFSOUCVPD-UHFFFAOYSA-N
MW189.20 g/mol
LogP3.03
Rot. Bonds4

About ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium

ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium (PubChem CID 174318341) has the molecular formula C7H10O2PS+ and a molecular weight of 189.20 g/mol. Its IUPAC name is ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium.

Molecular Properties

Compound Nameethyl-oxo-(thiophen-2-ylmethoxy)phosphanium
PubChem CID174318341
Molecular FormulaC7H10O2PS+
Molecular Weight189.20 g/mol
Exact Mass189.01
IUPAC Nameethyl-oxo-(thiophen-2-ylmethoxy)phosphanium
SMILESCC[P+](=O)OCc1cccs1
InChIInChI=1S/C7H10O2PS/c1-2-10(8)9-6-7-4-3-5-11-7/h3-5H,2,6H2,1H3/q+1
InChIKeyCWEITZFSOUCVPD-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethoxymethyl)thiophene
CID 12699283
2-(methoxymethyl)thiophene
CID 10240820
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
CID 10420808
2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid
CID 114995683
3,3-dimethyl-1-(thiophen-2-ylmethoxy)butan-2-one
CID 62034187
thiophen-2-ylmethyl 3-amino-3-methylbutanoate
CID 64701985
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
ethyl acetate;2-(methoxymethyl)thiophene
CID 174707277
3-(thiophen-2-ylmethoxymethyl)pentan-3-amine
CID 64571428
2-(hexoxymethyl)thiophene
CID 57182867
2-(thiophen-2-ylmethoxy)butanamide
CID 62898972
N-(thiophen-2-ylmethoxy)propan-2-imine
CID 142060545

Frequently Asked Questions

What is the IUPAC name of ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium?
The IUPAC name of ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium (CID 174318341) is ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium.
What is the SMILES notation for ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium?
The canonical SMILES for ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium is CC[P+](=O)OCc1cccs1.
What is the InChIKey of ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium?
The InChIKey is CWEITZFSOUCVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2PS/c1-2-10(8)9-6-7-4-3-5-11-7/h3-5H,2,6H2,1H3/q+1.
What are the key properties of ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium?
ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium has a molecular weight of 189.20 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-oxo-(thiophen-2-ylmethoxy)phosphanium is sourced from PubChem (CID 174318341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).