(4-octylphenoxy)-oxophosphanium

C14H22O2P+ — CID 123939155

IUPAC(4-octylphenoxy)-oxophosphanium
SMILESCCCCCCCCc1ccc(O[PH+]=O)cc1
InChIInChI=1S/C14H22O2P/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)16-17-15/h9-12,17H,2-8H2,1H3/q+1
InChIKeyXQJFDHADSYBAIM-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.91
Rot. Bonds9

About (4-octylphenoxy)-oxophosphanium

(4-octylphenoxy)-oxophosphanium (PubChem CID 123939155) has the molecular formula C14H22O2P+ and a molecular weight of 253.30 g/mol. Its IUPAC name is (4-octylphenoxy)-oxophosphanium.

Molecular Properties

Compound Name(4-octylphenoxy)-oxophosphanium
PubChem CID123939155
Molecular FormulaC14H22O2P+
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(4-octylphenoxy)-oxophosphanium
SMILESCCCCCCCCc1ccc(O[PH+]=O)cc1
InChIInChI=1S/C14H22O2P/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)16-17-15/h9-12,17H,2-8H2,1H3/q+1
InChIKeyXQJFDHADSYBAIM-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-butyl-4-nonylbenzene
CID 59545302
1-hexoxy-4-pentylbenzene
CID 54277450
CID 59959489
CID 59959489
4-(4-dodecylphenoxy)phenol
CID 134258509
tris(4-hexadecylphenyl) phosphate
CID 139663142
1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene
CID 154488983
(4-decylphenyl) acetate
CID 57064765
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482
bis(4-pentylphenyl) sulfate
CID 69378529
CID 59759292
CID 59759292

Frequently Asked Questions

What is the IUPAC name of (4-octylphenoxy)-oxophosphanium?
The IUPAC name of (4-octylphenoxy)-oxophosphanium (CID 123939155) is (4-octylphenoxy)-oxophosphanium.
What is the SMILES notation for (4-octylphenoxy)-oxophosphanium?
The canonical SMILES for (4-octylphenoxy)-oxophosphanium is CCCCCCCCc1ccc(O[PH+]=O)cc1.
What is the InChIKey of (4-octylphenoxy)-oxophosphanium?
The InChIKey is XQJFDHADSYBAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2P/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)16-17-15/h9-12,17H,2-8H2,1H3/q+1.
What are the key properties of (4-octylphenoxy)-oxophosphanium?
(4-octylphenoxy)-oxophosphanium has a molecular weight of 253.30 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-octylphenoxy)-oxophosphanium is sourced from PubChem (CID 123939155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).