(3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium

C9H10O5P+ — CID 174985274

IUPAC(3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium
SMILESCCC(=O)O[P+](=O)Oc1cccc(O)c1
InChIInChI=1S/C9H9O5P/c1-2-9(11)14-15(12)13-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3/p+1
InChIKeyDYMXBBZSSMRRFM-UHFFFAOYSA-O
MW229.15 g/mol
LogP2.38
Rot. Bonds4

About (3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium

(3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium (PubChem CID 174985274) has the molecular formula C9H10O5P+ and a molecular weight of 229.15 g/mol. Its IUPAC name is (3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium.

Molecular Properties

Compound Name(3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium
PubChem CID174985274
Molecular FormulaC9H10O5P+
Molecular Weight229.15 g/mol
Exact Mass229.03
IUPAC Name(3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium
SMILESCCC(=O)O[P+](=O)Oc1cccc(O)c1
InChIInChI=1S/C9H9O5P/c1-2-9(11)14-15(12)13-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3/p+1
InChIKeyDYMXBBZSSMRRFM-UHFFFAOYSA-O
XLogP2.38
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(3-hydroxyphenoxy)-oxophosphanium
CID 68909163
(3-hydroxyphenyl) pentanoate
CID 68903948
[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium
CID 59089948
(E)-1-carboxyethylidene-(3-hydroxyphenoxy)-oxidophosphanium
CID 175545445
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
bis(3-hydroxyphenyl) decanedioate;bis(3-hydroxyphenyl) hexanedioate
CID 66808075
3-(4-ethylhex-3-enoxy)phenol
CID 15329857
3-ethoxyphenol;iodoethane
CID 162028202
(3-hydroxyphenyl) 2-oxopropanoate
CID 22361380
sodium 3-methoxyphenol
CID 19079440
ethane;3-methoxyphenol
CID 142018283
formic acid;3-hexoxyphenol
CID 174800460

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium?
The IUPAC name of (3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium (CID 174985274) is (3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium.
What is the SMILES notation for (3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium?
The canonical SMILES for (3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium is CCC(=O)O[P+](=O)Oc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium?
The InChIKey is DYMXBBZSSMRRFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9O5P/c1-2-9(11)14-15(12)13-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3/p+1.
What are the key properties of (3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium?
(3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium has a molecular weight of 229.15 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenoxy)-oxo-propanoyloxyphosphanium is sourced from PubChem (CID 174985274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).