(2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium

C26H36O4P+ — CID 66605933

IUPAC(2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCCCCCOc1ccc([P+](=O)C(=O)c2c(C)cc(C)cc2C)c(OCCCCC)c1
InChIInChI=1S/C26H36O4P/c1-6-8-10-14-29-22-12-13-24(23(18-22)30-15-11-9-7-2)31(28)26(27)25-20(4)16-19(3)17-21(25)5/h12-13,16-18H,6-11,14-15H2,1-5H3/q+1
InChIKeyBIUZPSHBNHRNOZ-UHFFFAOYSA-N
MW443.54 g/mol
LogP7.04
Rot. Bonds13

About (2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium

(2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium (PubChem CID 66605933) has the molecular formula C26H36O4P+ and a molecular weight of 443.54 g/mol. Its IUPAC name is (2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium.

Molecular Properties

Compound Name(2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium
PubChem CID66605933
Molecular FormulaC26H36O4P+
Molecular Weight443.54 g/mol
Exact Mass443.23
IUPAC Name(2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium
SMILESCCCCCOc1ccc([P+](=O)C(=O)c2c(C)cc(C)cc2C)c(OCCCCC)c1
InChIInChI=1S/C26H36O4P/c1-6-8-10-14-29-22-12-13-24(23(18-22)30-15-11-9-7-2)31(28)26(27)25-20(4)16-19(3)17-21(25)5/h12-13,16-18H,6-11,14-15H2,1-5H3/q+1
InChIKeyBIUZPSHBNHRNOZ-UHFFFAOYSA-N
XLogP7.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
(2,4-dipentoxyphenyl)-oxophosphanium;bis(2,4,6-trimethylbenzohydrazide)
CID 158989096
[(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 159387722
ethyl 4-decoxy-2-hexoxybenzoate
CID 141156518
lithium;hydride;(2,4,6-trimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 173244414
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
4-decoxy-2-hexoxybenzoic acid
CID 141156533
lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide
CID 141015912
4-pentoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 4935004
(2,4-dipentoxyphenyl)methanol
CID 54794877
2,5-didodecoxybenzoic acid
CID 168826367
(4-pentoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
CID 89019643

Frequently Asked Questions

What is the IUPAC name of (2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
The IUPAC name of (2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium (CID 66605933) is (2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium.
What is the SMILES notation for (2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
The canonical SMILES for (2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium is CCCCCOc1ccc([P+](=O)C(=O)c2c(C)cc(C)cc2C)c(OCCCCC)c1.
What is the InChIKey of (2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
The InChIKey is BIUZPSHBNHRNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O4P/c1-6-8-10-14-29-22-12-13-24(23(18-22)30-15-11-9-7-2)31(28)26(27)25-20(4)16-19(3)17-21(25)5/h12-13,16-18H,6-11,14-15H2,1-5H3/q+1.
What are the key properties of (2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium?
(2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium has a molecular weight of 443.54 g/mol, XLogP of 7.04, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium is sourced from PubChem (CID 66605933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).