diphenylphosphanium;5-phenylpentanoic acid

C23H26O2P+ — CID 142371989

IUPACdiphenylphosphanium;5-phenylpentanoic acid
SMILESO=C(O)CCCCc1ccccc1.c1ccc([PH2+]c2ccccc2)cc1
InChIInChI=1S/C12H11P.C11H14O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-10,13H;1-3,6-7H,4-5,8-9H2,(H,12,13)/p+1
InChIKeyLCIYGNVDFRDRPC-UHFFFAOYSA-O
MW365.43 g/mol
LogP4.53
Rot. Bonds7

About diphenylphosphanium;5-phenylpentanoic acid

diphenylphosphanium;5-phenylpentanoic acid (PubChem CID 142371989) has the molecular formula C23H26O2P+ and a molecular weight of 365.43 g/mol. Its IUPAC name is diphenylphosphanium;5-phenylpentanoic acid.

Molecular Properties

Compound Namediphenylphosphanium;5-phenylpentanoic acid
PubChem CID142371989
Molecular FormulaC23H26O2P+
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namediphenylphosphanium;5-phenylpentanoic acid
SMILESO=C(O)CCCCc1ccccc1.c1ccc([PH2+]c2ccccc2)cc1
InChIInChI=1S/C12H11P.C11H14O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-10,13H;1-3,6-7H,4-5,8-9H2,(H,12,13)/p+1
InChIKeyLCIYGNVDFRDRPC-UHFFFAOYSA-O
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

15-phenylpentadecanoic acid
CID 2737151
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
1,9-diphenylnonan-5-one
CID 23467830
5-phenylpentanoic acid;2-phosphonoacetic acid
CID 67686040
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
20-(4-phenylsulfanylphenyl)icosanoic acid
CID 173410198
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;18-phenyloctadecanoic acid
CID 68846605
lanthanum;3-phenylpropanoic acid
CID 174887955

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanium;5-phenylpentanoic acid?
The IUPAC name of diphenylphosphanium;5-phenylpentanoic acid (CID 142371989) is diphenylphosphanium;5-phenylpentanoic acid.
What is the SMILES notation for diphenylphosphanium;5-phenylpentanoic acid?
The canonical SMILES for diphenylphosphanium;5-phenylpentanoic acid is O=C(O)CCCCc1ccccc1.c1ccc([PH2+]c2ccccc2)cc1.
What is the InChIKey of diphenylphosphanium;5-phenylpentanoic acid?
The InChIKey is LCIYGNVDFRDRPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11P.C11H14O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-10,13H;1-3,6-7H,4-5,8-9H2,(H,12,13)/p+1.
What are the key properties of diphenylphosphanium;5-phenylpentanoic acid?
diphenylphosphanium;5-phenylpentanoic acid has a molecular weight of 365.43 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanium;5-phenylpentanoic acid is sourced from PubChem (CID 142371989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).