2-ethylhexyl-(4-methylphenoxy)-oxophosphanium

C15H24O2P+ — CID 58805921

IUPAC2-ethylhexyl-(4-methylphenoxy)-oxophosphanium
SMILESCCCCC(CC)C[P+](=O)Oc1ccc(C)cc1
InChIInChI=1S/C15H24O2P/c1-4-6-7-14(5-2)12-18(16)17-15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3/q+1
InChIKeyUFOWOBDYASHPJR-UHFFFAOYSA-N
MW267.33 g/mol
LogP5.33
Rot. Bonds8

About 2-ethylhexyl-(4-methylphenoxy)-oxophosphanium

2-ethylhexyl-(4-methylphenoxy)-oxophosphanium (PubChem CID 58805921) has the molecular formula C15H24O2P+ and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethylhexyl-(4-methylphenoxy)-oxophosphanium.

Molecular Properties

Compound Name2-ethylhexyl-(4-methylphenoxy)-oxophosphanium
PubChem CID58805921
Molecular FormulaC15H24O2P+
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC Name2-ethylhexyl-(4-methylphenoxy)-oxophosphanium
SMILESCCCCC(CC)C[P+](=O)Oc1ccc(C)cc1
InChIInChI=1S/C15H24O2P/c1-4-6-7-14(5-2)12-18(16)17-15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3/q+1
InChIKeyUFOWOBDYASHPJR-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.33
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) N,N-bis(2-ethylhexyl)carbamate
CID 101477311
bis[(2S)-2-ethylhexyl]-oxophosphanium
CID 99690268
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
2-ethylhexyl 4-methylbenzenesulfinate
CID 132580944
2-ethylhexyl-hydroxy-oxophosphanium
CID 22002161
N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide
CID 174572163
bis(2-ethylhexyl)-oxophosphanium;phosphorous acid
CID 174380379
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
4-ethyl-1-(4-methylphenyl)octane-2-thione
CID 144875666

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl-(4-methylphenoxy)-oxophosphanium?
The IUPAC name of 2-ethylhexyl-(4-methylphenoxy)-oxophosphanium (CID 58805921) is 2-ethylhexyl-(4-methylphenoxy)-oxophosphanium.
What is the SMILES notation for 2-ethylhexyl-(4-methylphenoxy)-oxophosphanium?
The canonical SMILES for 2-ethylhexyl-(4-methylphenoxy)-oxophosphanium is CCCCC(CC)C[P+](=O)Oc1ccc(C)cc1.
What is the InChIKey of 2-ethylhexyl-(4-methylphenoxy)-oxophosphanium?
The InChIKey is UFOWOBDYASHPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2P/c1-4-6-7-14(5-2)12-18(16)17-15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3/q+1.
What are the key properties of 2-ethylhexyl-(4-methylphenoxy)-oxophosphanium?
2-ethylhexyl-(4-methylphenoxy)-oxophosphanium has a molecular weight of 267.33 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl-(4-methylphenoxy)-oxophosphanium is sourced from PubChem (CID 58805921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).