(2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium

C11H12O4P+ — CID 163797832

IUPAC(2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium
SMILESCC1=C(O)C1OC[P+](=O)Oc1ccccc1
InChIInChI=1S/C11H11O4P/c1-8-10(12)11(8)14-7-16(13)15-9-5-3-2-4-6-9/h2-6,11H,7H2,1H3/p+1
InChIKeyLNPCTAKWIOEWIA-UHFFFAOYSA-O
MW239.19 g/mol
LogP3.00
Rot. Bonds5

About (2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium

(2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium (PubChem CID 163797832) has the molecular formula C11H12O4P+ and a molecular weight of 239.19 g/mol. Its IUPAC name is (2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium.

Molecular Properties

Compound Name(2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium
PubChem CID163797832
Molecular FormulaC11H12O4P+
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC Name(2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium
SMILESCC1=C(O)C1OC[P+](=O)Oc1ccccc1
InChIInChI=1S/C11H11O4P/c1-8-10(12)11(8)14-7-16(13)15-9-5-3-2-4-6-9/h2-6,11H,7H2,1H3/p+1
InChIKeyLNPCTAKWIOEWIA-UHFFFAOYSA-O
XLogP3.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 53.00
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

cerium;ethyl-oxo-phenoxyphosphanium
CID 174771782
chloromethyl-oxo-phenoxyphosphanium
CID 174746789
2-carboxypropyl-oxo-phenoxyphosphanium
CID 57039771
2-aminoethyl-oxo-phenoxyphosphanium
CID 90917693
2-carboxyethyl-oxo-phenoxyphosphanium;zinc
CID 174937996
oxo-pentyl-phenoxyphosphanium
CID 67135329
hexyl-oxo-phenoxyphosphanium
CID 67135564
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
copper;oxo(diphenoxy)phosphanium
CID 158842365
oxo-phenoxy-phosphanylphosphanium
CID 154139481
copper(1+);oxido-oxo-phenoxyphosphanium
CID 166721703
methyl-oxo-(4-phenylphenoxy)phosphanium
CID 164967000

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium?
The IUPAC name of (2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium (CID 163797832) is (2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium.
What is the SMILES notation for (2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium?
The canonical SMILES for (2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium is CC1=C(O)C1OC[P+](=O)Oc1ccccc1.
What is the InChIKey of (2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium?
The InChIKey is LNPCTAKWIOEWIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H11O4P/c1-8-10(12)11(8)14-7-16(13)15-9-5-3-2-4-6-9/h2-6,11H,7H2,1H3/p+1.
What are the key properties of (2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium?
(2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium has a molecular weight of 239.19 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium is sourced from PubChem (CID 163797832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).