methyl(phenoxy)phosphanide

C7H8OP- — CID 59117349

IUPACmethyl(phenoxy)phosphanide
SMILESC[P-]Oc1ccccc1
InChIInChI=1S/C7H8OP/c1-9-8-7-5-3-2-4-6-7/h2-6H,1H3/q-1
InChIKeyMHVBINQRQMTQNA-UHFFFAOYSA-N
MW139.11 g/mol
LogP2.56
Rot. Bonds2

About methyl(phenoxy)phosphanide

methyl(phenoxy)phosphanide (PubChem CID 59117349) has the molecular formula C7H8OP- and a molecular weight of 139.11 g/mol. Its IUPAC name is methyl(phenoxy)phosphanide.

Molecular Properties

Compound Namemethyl(phenoxy)phosphanide
PubChem CID59117349
Molecular FormulaC7H8OP-
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Namemethyl(phenoxy)phosphanide
SMILESC[P-]Oc1ccccc1
InChIInChI=1S/C7H8OP/c1-9-8-7-5-3-2-4-6-7/h2-6H,1H3/q-1
InChIKeyMHVBINQRQMTQNA-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(phenoxy)phosphanide?
The IUPAC name of methyl(phenoxy)phosphanide (CID 59117349) is methyl(phenoxy)phosphanide.
What is the SMILES notation for methyl(phenoxy)phosphanide?
The canonical SMILES for methyl(phenoxy)phosphanide is C[P-]Oc1ccccc1.
What is the InChIKey of methyl(phenoxy)phosphanide?
The InChIKey is MHVBINQRQMTQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OP/c1-9-8-7-5-3-2-4-6-7/h2-6H,1H3/q-1.
What are the key properties of methyl(phenoxy)phosphanide?
methyl(phenoxy)phosphanide has a molecular weight of 139.11 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(phenoxy)phosphanide is sourced from PubChem (CID 59117349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).