bis(2-heptylphenoxy)-oxophosphanium

C26H38O3P+ — CID 67547251

IUPACbis(2-heptylphenoxy)-oxophosphanium
SMILESCCCCCCCc1ccccc1O[P+](=O)Oc1ccccc1CCCCCCC
InChIInChI=1S/C26H38O3P/c1-3-5-7-9-11-17-23-19-13-15-21-25(23)28-30(27)29-26-22-16-14-20-24(26)18-12-10-8-6-4-2/h13-16,19-22H,3-12,17-18H2,1-2H3/q+1
InChIKeyQEHCDFRGOPFXHT-UHFFFAOYSA-N
MW429.56 g/mol
LogP8.83
Rot. Bonds16

About bis(2-heptylphenoxy)-oxophosphanium

bis(2-heptylphenoxy)-oxophosphanium (PubChem CID 67547251) has the molecular formula C26H38O3P+ and a molecular weight of 429.56 g/mol. Its IUPAC name is bis(2-heptylphenoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-heptylphenoxy)-oxophosphanium
PubChem CID67547251
Molecular FormulaC26H38O3P+
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Namebis(2-heptylphenoxy)-oxophosphanium
SMILESCCCCCCCc1ccccc1O[P+](=O)Oc1ccccc1CCCCCCC
InChIInChI=1S/C26H38O3P/c1-3-5-7-9-11-17-23-19-13-15-21-25(23)28-30(27)29-26-22-16-14-20-24(26)18-12-10-8-6-4-2/h13-16,19-22H,3-12,17-18H2,1-2H3/q+1
InChIKeyQEHCDFRGOPFXHT-UHFFFAOYSA-N
XLogP8.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium
CID 175829557
hydroxy-(2-octylphenoxy)-oxophosphanium
CID 67546682
1-methoxy-2-tetradecylbenzene
CID 69169530
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-decyl-2-ethoxybenzene
CID 175243335
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
(2-octylphenoxy)phosphane
CID 163637323
dihydroxy(oxo)phosphanium;1,2-dioctylbenzene
CID 67709665
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
(2-heptylphenyl) formate
CID 141284661

Frequently Asked Questions

What is the IUPAC name of bis(2-heptylphenoxy)-oxophosphanium?
The IUPAC name of bis(2-heptylphenoxy)-oxophosphanium (CID 67547251) is bis(2-heptylphenoxy)-oxophosphanium.
What is the SMILES notation for bis(2-heptylphenoxy)-oxophosphanium?
The canonical SMILES for bis(2-heptylphenoxy)-oxophosphanium is CCCCCCCc1ccccc1O[P+](=O)Oc1ccccc1CCCCCCC.
What is the InChIKey of bis(2-heptylphenoxy)-oxophosphanium?
The InChIKey is QEHCDFRGOPFXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O3P/c1-3-5-7-9-11-17-23-19-13-15-21-25(23)28-30(27)29-26-22-16-14-20-24(26)18-12-10-8-6-4-2/h13-16,19-22H,3-12,17-18H2,1-2H3/q+1.
What are the key properties of bis(2-heptylphenoxy)-oxophosphanium?
bis(2-heptylphenoxy)-oxophosphanium has a molecular weight of 429.56 g/mol, XLogP of 8.83, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-heptylphenoxy)-oxophosphanium is sourced from PubChem (CID 67547251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).