(2-diphenylphosphanylphenyl) pentanoate

C23H23O2P — CID 71406690

IUPAC(2-diphenylphosphanylphenyl) pentanoate
SMILESCCCCC(=O)Oc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23O2P/c1-2-3-18-23(24)25-21-16-10-11-17-22(21)26(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,2-3,18H2,1H3
InChIKeyUYIUOJDUVUPEQX-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.54
Rot. Bonds7

About (2-diphenylphosphanylphenyl) pentanoate

(2-diphenylphosphanylphenyl) pentanoate (PubChem CID 71406690) has the molecular formula C23H23O2P and a molecular weight of 362.41 g/mol. Its IUPAC name is (2-diphenylphosphanylphenyl) pentanoate.

Molecular Properties

Compound Name(2-diphenylphosphanylphenyl) pentanoate
PubChem CID71406690
Molecular FormulaC23H23O2P
Molecular Weight362.41 g/mol
Exact Mass362.14
IUPAC Name(2-diphenylphosphanylphenyl) pentanoate
SMILESCCCCC(=O)Oc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23O2P/c1-2-3-18-23(24)25-21-16-10-11-17-22(21)26(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,2-3,18H2,1H3
InChIKeyUYIUOJDUVUPEQX-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-diphenylphosphanylphenyl) 10-acetylsulfanyldecanoate
CID 118325424
(2-diphenylphosphanylphenyl) 3-(2-ethoxyethoxy)propanoate
CID 121325775
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
(2-nonanoyloxyphenyl) undecanoate
CID 90023956
[2-(aminomethyl)phenyl] pentanoate
CID 174757201
butyl 2-diphenylphosphanylbenzoate
CID 87329990
(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041
(2-amino-3-hydroxyphenyl) pentanoate
CID 57028782
[2-(4,4-dimethylpentanoyloxy)phenyl] undecanoate
CID 90024625
(2-pentanoyloxyphenyl) 9-ethylundecanoate
CID 90024393
[2-(2,2-dimethylpropanoyloxy)phenyl] undecanoate
CID 90024650

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphanylphenyl) pentanoate?
The IUPAC name of (2-diphenylphosphanylphenyl) pentanoate (CID 71406690) is (2-diphenylphosphanylphenyl) pentanoate.
What is the SMILES notation for (2-diphenylphosphanylphenyl) pentanoate?
The canonical SMILES for (2-diphenylphosphanylphenyl) pentanoate is CCCCC(=O)Oc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-diphenylphosphanylphenyl) pentanoate?
The InChIKey is UYIUOJDUVUPEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O2P/c1-2-3-18-23(24)25-21-16-10-11-17-22(21)26(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,2-3,18H2,1H3.
What are the key properties of (2-diphenylphosphanylphenyl) pentanoate?
(2-diphenylphosphanylphenyl) pentanoate has a molecular weight of 362.41 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphanylphenyl) pentanoate is sourced from PubChem (CID 71406690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).