(4-tetradecylphenyl) 2-phosphanyloxyacetate

C22H37O3P — CID 57046883

IUPAC(4-tetradecylphenyl) 2-phosphanyloxyacetate
SMILESCCCCCCCCCCCCCCc1ccc(OC(=O)COP)cc1
InChIInChI=1S/C22H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)25-22(23)19-24-26/h15-18H,2-14,19,26H2,1H3
InChIKeyHXMZXLSCPLBJEK-UHFFFAOYSA-N
MW380.51 g/mol
LogP6.64
Rot. Bonds16

About (4-tetradecylphenyl) 2-phosphanyloxyacetate

(4-tetradecylphenyl) 2-phosphanyloxyacetate (PubChem CID 57046883) has the molecular formula C22H37O3P and a molecular weight of 380.51 g/mol. Its IUPAC name is (4-tetradecylphenyl) 2-phosphanyloxyacetate.

Molecular Properties

Compound Name(4-tetradecylphenyl) 2-phosphanyloxyacetate
PubChem CID57046883
Molecular FormulaC22H37O3P
Molecular Weight380.51 g/mol
Exact Mass380.25
IUPAC Name(4-tetradecylphenyl) 2-phosphanyloxyacetate
SMILESCCCCCCCCCCCCCCc1ccc(OC(=O)COP)cc1
InChIInChI=1S/C22H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)25-22(23)19-24-26/h15-18H,2-14,19,26H2,1H3
InChIKeyHXMZXLSCPLBJEK-UHFFFAOYSA-N
XLogP6.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-hexadecylphenyl) dodecanoate
CID 70230954
(4-decylphenyl) acetate
CID 57064765
tris((4-octylphenyl) butanoate);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173455063
methyl (4-octylphenyl) carbonate
CID 118690298
bis[4-(4-dodecylphenyl)phenyl] carbonate
CID 141076515
(4-decylphenyl) methyl carbonate
CID 118690238
bis(4-nonylphenyl) 2-methylidenebutanedioate
CID 70408162
[4-(4-nonylphenyl)phenyl] hydrogen carbonate
CID 67830948
butyl (4-decylphenyl) carbonate
CID 118690266
(4-tetradecylphenyl) 2-phosphanyloxyhexanoate
CID 57258947
(4-decylphenyl) heptyl carbonate
CID 118690290
(4-fluorophenyl) (4-hexylphenyl) carbonate
CID 70425086

Frequently Asked Questions

What is the IUPAC name of (4-tetradecylphenyl) 2-phosphanyloxyacetate?
The IUPAC name of (4-tetradecylphenyl) 2-phosphanyloxyacetate (CID 57046883) is (4-tetradecylphenyl) 2-phosphanyloxyacetate.
What is the SMILES notation for (4-tetradecylphenyl) 2-phosphanyloxyacetate?
The canonical SMILES for (4-tetradecylphenyl) 2-phosphanyloxyacetate is CCCCCCCCCCCCCCc1ccc(OC(=O)COP)cc1.
What is the InChIKey of (4-tetradecylphenyl) 2-phosphanyloxyacetate?
The InChIKey is HXMZXLSCPLBJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-17-21(18-16-20)25-22(23)19-24-26/h15-18H,2-14,19,26H2,1H3.
What are the key properties of (4-tetradecylphenyl) 2-phosphanyloxyacetate?
(4-tetradecylphenyl) 2-phosphanyloxyacetate has a molecular weight of 380.51 g/mol, XLogP of 6.64, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tetradecylphenyl) 2-phosphanyloxyacetate is sourced from PubChem (CID 57046883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).