2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid

C20H25O5P — CID 2840742

IUPAC2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid
SMILESCCOCCOCCC(C(=O)O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25O5P/c1-2-24-15-16-25-14-13-19(20(21)22)26(23,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,21,22)
InChIKeyDJTBBHNJPHIYAP-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.90
Rot. Bonds11

About 2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid

2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid (PubChem CID 2840742) has the molecular formula C20H25O5P and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid.

Molecular Properties

Compound Name2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid
PubChem CID2840742
Molecular FormulaC20H25O5P
Molecular Weight376.39 g/mol
Exact Mass376.14
IUPAC Name2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid
SMILESCCOCCOCCC(C(=O)O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25O5P/c1-2-24-15-16-25-14-13-19(20(21)22)26(23,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,21,22)
InChIKeyDJTBBHNJPHIYAP-UHFFFAOYSA-N
XLogP2.90
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
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

Ethyl (diphenylphosphoryl)acetate
CID 796941
Diphenylphosphinylmethylsuccinic acid
CID 2998626
Ethyl 2-(diphenylphosphoryl)pentanoate
CID 2839721
Diethyl 2-(diphenylphosphoryl)butanedioate
CID 2828397
5-(Diphenylphosphinyl)pentanoic acid
CID 10380172
Ethyl 2-(diphenylphosphoryl)-4-(2-ethoxyethoxy)butanoate
CID 2839649
Isopropyl 5-(diphenylphosphoryl)pentanoate
CID 53394734
T0515-8708
CID 2424117
2-(Diphenylphosphinoyl)succinic acid
CID 2840124
4-(Diphenylphosphoryl)butanoic acid
CID 3568824
Diethyl 2-(Triphenyl-l5-phosphanylidene)succinate
CID 9980353
2-(Triphenylphosphoranylidene)butanedioic acid 1-ethyl ester
CID 10949536

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid?
The IUPAC name of 2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid (CID 2840742) is 2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid.
What is the SMILES notation for 2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid?
The canonical SMILES for 2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid is CCOCCOCCC(C(=O)O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid?
The InChIKey is DJTBBHNJPHIYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O5P/c1-2-24-15-16-25-14-13-19(20(21)22)26(23,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,21,22).
What are the key properties of 2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid?
2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid has a molecular weight of 376.39 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-4-(2-ethoxyethoxy)butanoic acid is sourced from PubChem (CID 2840742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).