hydroxy-(2-octylphenoxy)-oxophosphanium

C14H22O3P+ — CID 67546682

IUPAChydroxy-(2-octylphenoxy)-oxophosphanium
SMILESCCCCCCCCc1ccccc1O[P+](=O)O
InChIInChI=1S/C14H21O3P/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)17-18(15)16/h8-9,11-12H,2-7,10H2,1H3/p+1
InChIKeyWBQJPLSAEDSYNN-UHFFFAOYSA-O
MW269.30 g/mol
LogP4.62
Rot. Bonds9

About hydroxy-(2-octylphenoxy)-oxophosphanium

hydroxy-(2-octylphenoxy)-oxophosphanium (PubChem CID 67546682) has the molecular formula C14H22O3P+ and a molecular weight of 269.30 g/mol. Its IUPAC name is hydroxy-(2-octylphenoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(2-octylphenoxy)-oxophosphanium
PubChem CID67546682
Molecular FormulaC14H22O3P+
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namehydroxy-(2-octylphenoxy)-oxophosphanium
SMILESCCCCCCCCc1ccccc1O[P+](=O)O
InChIInChI=1S/C14H21O3P/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)17-18(15)16/h8-9,11-12H,2-7,10H2,1H3/p+1
InChIKeyWBQJPLSAEDSYNN-UHFFFAOYSA-O
XLogP4.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 54.62
H-Bond Donors ≤ 51
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

bis(2-heptylphenoxy)-oxophosphanium
CID 67547251
dihydroxy(oxo)phosphanium;1,2-dioctylbenzene
CID 67709665
(2-hexylphenyl) propanoate
CID 173224312
(2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium
CID 175829557
1-methoxy-2-tetradecylbenzene
CID 69169530
azane;1-nonyl-2-(2-nonylphenoxy)benzene;sulfuric acid
CID 172996794
hydroxy-(2-nonylphenoxy)-oxosilane
CID 67915956
(2-octylphenyl) hydrogen sulfite
CID 21399380
bis(2-hexylphenyl) hydrogen phosphate
CID 14671068
(2-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761

Frequently Asked Questions

What is the IUPAC name of hydroxy-(2-octylphenoxy)-oxophosphanium?
The IUPAC name of hydroxy-(2-octylphenoxy)-oxophosphanium (CID 67546682) is hydroxy-(2-octylphenoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(2-octylphenoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(2-octylphenoxy)-oxophosphanium is CCCCCCCCc1ccccc1O[P+](=O)O.
What is the InChIKey of hydroxy-(2-octylphenoxy)-oxophosphanium?
The InChIKey is WBQJPLSAEDSYNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21O3P/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)17-18(15)16/h8-9,11-12H,2-7,10H2,1H3/p+1.
What are the key properties of hydroxy-(2-octylphenoxy)-oxophosphanium?
hydroxy-(2-octylphenoxy)-oxophosphanium has a molecular weight of 269.30 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(2-octylphenoxy)-oxophosphanium is sourced from PubChem (CID 67546682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).