methyl-oxo-phenylmethoxyphosphanium

C8H10O2P+ — CID 20566646

IUPACmethyl-oxo-phenylmethoxyphosphanium
SMILESC[P+](=O)OCc1ccccc1
InChIInChI=1S/C8H10O2P/c1-11(9)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3/q+1
InChIKeyPTBXYKSOPAMOMT-UHFFFAOYSA-N
MW169.14 g/mol
LogP2.58
Rot. Bonds3

About methyl-oxo-phenylmethoxyphosphanium

methyl-oxo-phenylmethoxyphosphanium (PubChem CID 20566646) has the molecular formula C8H10O2P+ and a molecular weight of 169.14 g/mol. Its IUPAC name is methyl-oxo-phenylmethoxyphosphanium.

Molecular Properties

Compound Namemethyl-oxo-phenylmethoxyphosphanium
PubChem CID20566646
Molecular FormulaC8H10O2P+
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Namemethyl-oxo-phenylmethoxyphosphanium
SMILESC[P+](=O)OCc1ccccc1
InChIInChI=1S/C8H10O2P/c1-11(9)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3/q+1
InChIKeyPTBXYKSOPAMOMT-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy(oxo)phosphanium;oxo-bis(phenylmethoxy)phosphanium
CID 159366011
chloro-oxo-phenylmethoxyphosphanium
CID 23320599
disodium bis(oxido-oxo-phenylmethoxyphosphanium)
CID 171808155
oxo-pent-2-enyl-phenylmethoxyphosphanium
CID 74601015
oxo-(2-phenylethoxy)-phenylmethoxyphosphanium
CID 70073621
acetic acid;phenylmethoxymethylbenzene
CID 175214238
1-phenylmethoxyethylphosphonic acid
CID 174787824
oxo-bis(phenylmethoxymethoxy)phosphanium
CID 68931387
bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
CID 155609893
benzyl propanoate;hydrochloride
CID 140986165
benzyl carbamate;heptahydrochloride
CID 141351835
hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride
CID 70471484

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-phenylmethoxyphosphanium?
The IUPAC name of methyl-oxo-phenylmethoxyphosphanium (CID 20566646) is methyl-oxo-phenylmethoxyphosphanium.
What is the SMILES notation for methyl-oxo-phenylmethoxyphosphanium?
The canonical SMILES for methyl-oxo-phenylmethoxyphosphanium is C[P+](=O)OCc1ccccc1.
What is the InChIKey of methyl-oxo-phenylmethoxyphosphanium?
The InChIKey is PTBXYKSOPAMOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2P/c1-11(9)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3/q+1.
What are the key properties of methyl-oxo-phenylmethoxyphosphanium?
methyl-oxo-phenylmethoxyphosphanium has a molecular weight of 169.14 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-phenylmethoxyphosphanium is sourced from PubChem (CID 20566646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).