(2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium

C30H46O3P+ — CID 175829557

IUPAC(2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium
SMILESCCCCCCCCCc1ccc(O[P+](=O)Oc2ccccc2CCCCCCCCC)cc1
InChIInChI=1S/C30H46O3P/c1-3-5-7-9-11-13-15-19-27-23-25-29(26-24-27)32-34(31)33-30-22-18-17-21-28(30)20-16-14-12-10-8-6-4-2/h17-18,21-26H,3-16,19-20H2,1-2H3/q+1
InChIKeyJAPXTAAXFLJXKW-UHFFFAOYSA-N
MW485.67 g/mol
LogP10.39
Rot. Bonds20

About (2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium

(2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium (PubChem CID 175829557) has the molecular formula C30H46O3P+ and a molecular weight of 485.67 g/mol. Its IUPAC name is (2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium.

Molecular Properties

Compound Name(2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium
PubChem CID175829557
Molecular FormulaC30H46O3P+
Molecular Weight485.67 g/mol
Exact Mass485.32
IUPAC Name(2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium
SMILESCCCCCCCCCc1ccc(O[P+](=O)Oc2ccccc2CCCCCCCCC)cc1
InChIInChI=1S/C30H46O3P/c1-3-5-7-9-11-13-15-19-27-23-25-29(26-24-27)32-34(31)33-30-22-18-17-21-28(30)20-16-14-12-10-8-6-4-2/h17-18,21-26H,3-16,19-20H2,1-2H3/q+1
InChIKeyJAPXTAAXFLJXKW-UHFFFAOYSA-N
XLogP10.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 510.39
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

bis(2-heptylphenoxy)-oxophosphanium
CID 67547251
1-heptadecyl-2-(4-heptadecylphenoxy)benzene
CID 101292205
hydroxy-(2-octylphenoxy)-oxophosphanium
CID 67546682
neodymium;(4-nonylphenoxy)-(4-nonylphenyl)-oxophosphanium
CID 87238694
1-methoxy-2-tetradecylbenzene
CID 69169530
1-pentadecyl-2-phenoxybenzene
CID 101290758
bis(2-decylphenyl) phenyl phosphite
CID 67947899
1-heptyl-2-octadecoxybenzene
CID 139667653
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-decyl-2-ethoxybenzene
CID 175243335
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973

Frequently Asked Questions

What is the IUPAC name of (2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium?
The IUPAC name of (2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium (CID 175829557) is (2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium.
What is the SMILES notation for (2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium?
The canonical SMILES for (2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium is CCCCCCCCCc1ccc(O[P+](=O)Oc2ccccc2CCCCCCCCC)cc1.
What is the InChIKey of (2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium?
The InChIKey is JAPXTAAXFLJXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O3P/c1-3-5-7-9-11-13-15-19-27-23-25-29(26-24-27)32-34(31)33-30-22-18-17-21-28(30)20-16-14-12-10-8-6-4-2/h17-18,21-26H,3-16,19-20H2,1-2H3/q+1.
What are the key properties of (2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium?
(2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium has a molecular weight of 485.67 g/mol, XLogP of 10.39, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nonylphenoxy)-(4-nonylphenoxy)-oxophosphanium is sourced from PubChem (CID 175829557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).