ethoxy-diethyl-(4-methylphenoxy)phosphanium

C13H22O2P+ — CID 175002684

IUPACethoxy-diethyl-(4-methylphenoxy)phosphanium
SMILESCCO[P+](CC)(CC)Oc1ccc(C)cc1
InChIInChI=1S/C13H22O2P/c1-5-14-16(6-2,7-3)15-13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3/q+1
InChIKeyOBECBBUARSFVBL-UHFFFAOYSA-N
MW241.29 g/mol
LogP4.30
Rot. Bonds6

About ethoxy-diethyl-(4-methylphenoxy)phosphanium

ethoxy-diethyl-(4-methylphenoxy)phosphanium (PubChem CID 175002684) has the molecular formula C13H22O2P+ and a molecular weight of 241.29 g/mol. Its IUPAC name is ethoxy-diethyl-(4-methylphenoxy)phosphanium.

Molecular Properties

Compound Nameethoxy-diethyl-(4-methylphenoxy)phosphanium
PubChem CID175002684
Molecular FormulaC13H22O2P+
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nameethoxy-diethyl-(4-methylphenoxy)phosphanium
SMILESCCO[P+](CC)(CC)Oc1ccc(C)cc1
InChIInChI=1S/C13H22O2P/c1-5-14-16(6-2,7-3)15-13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3/q+1
InChIKeyOBECBBUARSFVBL-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethoxy-diethyl-(4-methylphenoxy)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

1-(diethoxymethoxy)-4-methylbenzene
CID 86206447
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
iodo-tris(4-methylphenoxy)phosphanium
CID 139153583
chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium
CID 175546666
chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium
CID 175044014
1-(1-butoxyethoxy)-4-methylbenzene
CID 91451977
1-methoxy-4-methylbenzene;propane
CID 142064987
2-(4-methylphenoxy)butanamide
CID 4980758
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
CID 90324406
1-[(1R)-1-ethoxyethyl]-4-methylbenzene
CID 11130348
1-butan-2-yl-4-(1-ethoxypropoxy)benzene;1-butan-2-yl-4-methylbenzene;4-butan-2-ylphenol
CID 91131838

Frequently Asked Questions

What is the IUPAC name of ethoxy-diethyl-(4-methylphenoxy)phosphanium?
The IUPAC name of ethoxy-diethyl-(4-methylphenoxy)phosphanium (CID 175002684) is ethoxy-diethyl-(4-methylphenoxy)phosphanium.
What is the SMILES notation for ethoxy-diethyl-(4-methylphenoxy)phosphanium?
The canonical SMILES for ethoxy-diethyl-(4-methylphenoxy)phosphanium is CCO[P+](CC)(CC)Oc1ccc(C)cc1.
What is the InChIKey of ethoxy-diethyl-(4-methylphenoxy)phosphanium?
The InChIKey is OBECBBUARSFVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2P/c1-5-14-16(6-2,7-3)15-13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3/q+1.
What are the key properties of ethoxy-diethyl-(4-methylphenoxy)phosphanium?
ethoxy-diethyl-(4-methylphenoxy)phosphanium has a molecular weight of 241.29 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-diethyl-(4-methylphenoxy)phosphanium is sourced from PubChem (CID 175002684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).