bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium

C24H34O3P+ — CID 66870745

IUPACbis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium
SMILESCCc1c(C)ccc(CO[P+](=O)OCc2ccc(C)c(CC)c2CC)c1CC
InChIInChI=1S/C24H34O3P/c1-7-21-17(5)11-13-19(23(21)9-3)15-26-28(25)27-16-20-14-12-18(6)22(8-2)24(20)10-4/h11-14H,7-10,15-16H2,1-6H3/q+1
InChIKeyCILAEEJNHLLYPB-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.94
Rot. Bonds10

About bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium

bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium (PubChem CID 66870745) has the molecular formula C24H34O3P+ and a molecular weight of 401.51 g/mol. Its IUPAC name is bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium
PubChem CID66870745
Molecular FormulaC24H34O3P+
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Namebis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium
SMILESCCc1c(C)ccc(CO[P+](=O)OCc2ccc(C)c(CC)c2CC)c1CC
InChIInChI=1S/C24H34O3P/c1-7-21-17(5)11-13-19(23(21)9-3)15-26-28(25)27-16-20-14-12-18(6)22(8-2)24(20)10-4/h11-14H,7-10,15-16H2,1-6H3/q+1
InChIKeyCILAEEJNHLLYPB-UHFFFAOYSA-N
XLogP6.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium?
The IUPAC name of bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium (CID 66870745) is bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium.
What is the SMILES notation for bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium?
The canonical SMILES for bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium is CCc1c(C)ccc(CO[P+](=O)OCc2ccc(C)c(CC)c2CC)c1CC.
What is the InChIKey of bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium?
The InChIKey is CILAEEJNHLLYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3P/c1-7-21-17(5)11-13-19(23(21)9-3)15-26-28(25)27-16-20-14-12-18(6)22(8-2)24(20)10-4/h11-14H,7-10,15-16H2,1-6H3/q+1.
What are the key properties of bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium?
bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium has a molecular weight of 401.51 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium is sourced from PubChem (CID 66870745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).