hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium

C11H14O5P+ — CID 70451922

IUPAChydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium
SMILESCC(C)(Oc1ccccc1)C(=O)CO[P+](=O)O
InChIInChI=1S/C11H13O5P/c1-11(2,10(12)8-15-17(13)14)16-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/p+1
InChIKeyFWLJJSJGEPCCQC-UHFFFAOYSA-O
MW257.20 g/mol
LogP2.08
Rot. Bonds6

About hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium

hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium (PubChem CID 70451922) has the molecular formula C11H14O5P+ and a molecular weight of 257.20 g/mol. Its IUPAC name is hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium
PubChem CID70451922
Molecular FormulaC11H14O5P+
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC Namehydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium
SMILESCC(C)(Oc1ccccc1)C(=O)CO[P+](=O)O
InChIInChI=1S/C11H13O5P/c1-11(2,10(12)8-15-17(13)14)16-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/p+1
InChIKeyFWLJJSJGEPCCQC-UHFFFAOYSA-O
XLogP2.08
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-oxo-(2-oxo-3-phenoxypropoxy)phosphanium
CID 172802900
2,2-diphenoxybutanoic acid
CID 159827255
hydroxy-oxo-(2-phenoxyethoxy)phosphanium
CID 126570180
[2-[(2,4-dimethyl-3-phenylpentan-3-yl)amino]-2-oxoethoxy]-hydroxy-oxophosphanium
CID 70404909
ethane;ethyl 2-methyl-2-phenoxypropanoate;phenol
CID 159600538
ethyl 2-methyl-2-[4-(phenoxymethyl)phenoxy]propanoate
CID 154100490
3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one
CID 158264769
2-methyl-2-(4-pyridin-2-ylphenoxy)propanoic acid
CID 58589418
4-(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxybenzoic acid
CID 67548633
(4R,5S)-4-ethyl-4,5-dihydroxy-5-phenoxyhexan-3-one
CID 124638845
methyl-oxo-phenylmethoxyphosphanium
CID 20566646
3-chloro-2-phenoxybutan-2-ol
CID 154389199

Frequently Asked Questions

What is the IUPAC name of hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium?
The IUPAC name of hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium (CID 70451922) is hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium.
What is the SMILES notation for hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium?
The canonical SMILES for hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium is CC(C)(Oc1ccccc1)C(=O)CO[P+](=O)O.
What is the InChIKey of hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium?
The InChIKey is FWLJJSJGEPCCQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13O5P/c1-11(2,10(12)8-15-17(13)14)16-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/p+1.
What are the key properties of hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium?
hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium has a molecular weight of 257.20 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(3-methyl-2-oxo-3-phenoxybutoxy)-oxophosphanium is sourced from PubChem (CID 70451922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).