(2-dodecylphenyl) 2-phosphanyloxyacetate

C20H33O3P — CID 19783925

IUPAC(2-dodecylphenyl) 2-phosphanyloxyacetate
SMILESCCCCCCCCCCCCc1ccccc1OC(=O)COP
InChIInChI=1S/C20H33O3P/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)23-20(21)17-22-24/h12-13,15-16H,2-11,14,17,24H2,1H3
InChIKeyUSBMVGPTLDGDHM-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.86
Rot. Bonds14

About (2-dodecylphenyl) 2-phosphanyloxyacetate

(2-dodecylphenyl) 2-phosphanyloxyacetate (PubChem CID 19783925) has the molecular formula C20H33O3P and a molecular weight of 352.46 g/mol. Its IUPAC name is (2-dodecylphenyl) 2-phosphanyloxyacetate.

Molecular Properties

Compound Name(2-dodecylphenyl) 2-phosphanyloxyacetate
PubChem CID19783925
Molecular FormulaC20H33O3P
Molecular Weight352.46 g/mol
Exact Mass352.22
IUPAC Name(2-dodecylphenyl) 2-phosphanyloxyacetate
SMILESCCCCCCCCCCCCc1ccccc1OC(=O)COP
InChIInChI=1S/C20H33O3P/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)23-20(21)17-22-24/h12-13,15-16H,2-11,14,17,24H2,1H3
InChIKeyUSBMVGPTLDGDHM-UHFFFAOYSA-N
XLogP5.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.86
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'}

Analyze (2-dodecylphenyl) 2-phosphanyloxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hexylphenyl) propanoate
CID 173224312
(2-butylphenyl) heptanoate
CID 174752074
(2-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
(2-pentylphenyl) hydrogen carbonate
CID 66866102
ethyl (2-heptylphenyl) carbonate
CID 67181360
(2-octadecylphenyl) 2-methylprop-2-enoate
CID 141143341
(2-octylphenoxy)phosphane
CID 163637323
(2-nonylphenyl) (2S)-2-amino-3-hydroxypropanoate
CID 67997489
(2-methylphenyl) (2-octylphenyl) carbonate
CID 67181635
butyl (2-decylphenyl) carbonate
CID 67182932
octyl (2-pentylphenyl) carbonate
CID 67181173
(2-hexadecylphenyl) prop-2-enoate
CID 141143244

Frequently Asked Questions

What is the IUPAC name of (2-dodecylphenyl) 2-phosphanyloxyacetate?
The IUPAC name of (2-dodecylphenyl) 2-phosphanyloxyacetate (CID 19783925) is (2-dodecylphenyl) 2-phosphanyloxyacetate.
What is the SMILES notation for (2-dodecylphenyl) 2-phosphanyloxyacetate?
The canonical SMILES for (2-dodecylphenyl) 2-phosphanyloxyacetate is CCCCCCCCCCCCc1ccccc1OC(=O)COP.
What is the InChIKey of (2-dodecylphenyl) 2-phosphanyloxyacetate?
The InChIKey is USBMVGPTLDGDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33O3P/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)23-20(21)17-22-24/h12-13,15-16H,2-11,14,17,24H2,1H3.
What are the key properties of (2-dodecylphenyl) 2-phosphanyloxyacetate?
(2-dodecylphenyl) 2-phosphanyloxyacetate has a molecular weight of 352.46 g/mol, XLogP of 5.86, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dodecylphenyl) 2-phosphanyloxyacetate is sourced from PubChem (CID 19783925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).