(2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate

C25H27O4P — CID 121325775

IUPAC(2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate
SMILESCCOCCOCCC(=O)Oc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27O4P/c1-2-27-19-20-28-18-17-25(26)29-23-15-9-10-16-24(23)30(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16H,2,17-20H2,1H3
InChIKeyDUPQPSJBUVTYLH-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.79
Rot. Bonds11

About (2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate

(2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate (PubChem CID 121325775) has the molecular formula C25H27O4P and a molecular weight of 422.46 g/mol. Its IUPAC name is (2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate.

Molecular Properties

Compound Name(2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate
PubChem CID121325775
Molecular FormulaC25H27O4P
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name(2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate
SMILESCCOCCOCCC(=O)Oc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27O4P/c1-2-27-19-20-28-18-17-25(26)29-23-15-9-10-16-24(23)30(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16H,2,17-20H2,1H3
InChIKeyDUPQPSJBUVTYLH-UHFFFAOYSA-N
XLogP3.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2-diphenylphosphanylphenyl) pentanoate
CID 71406690
(2-diphenylphosphanylphenyl) 10-acetylsulfanyldecanoate
CID 118325424
butyl 2-diphenylphosphanylbenzoate
CID 87329990
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
2-amino-5-ethoxy-1-phenylpentan-3-one
CID 129147916
ethanol;ethyl acetate;triphenylphosphane
CID 87079685
1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
1-(2-nitrophenyl)propyl 3-[2-(2-ethoxyethoxy)ethoxy]propanoate
CID 130286400
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate?
The IUPAC name of (2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate (CID 121325775) is (2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate.
What is the SMILES notation for (2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate?
The canonical SMILES for (2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate is CCOCCOCCC(=O)Oc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate?
The InChIKey is DUPQPSJBUVTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27O4P/c1-2-27-19-20-28-18-17-25(26)29-23-15-9-10-16-24(23)30(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16H,2,17-20H2,1H3.
What are the key properties of (2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate?
(2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate has a molecular weight of 422.46 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate is sourced from PubChem (CID 121325775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).