phenyl(propoxy)phosphanide

C9H12OP- — CID 141016569

IUPACphenyl(propoxy)phosphanide
SMILESCCCO[P-]c1ccccc1
InChIInChI=1S/C9H12OP/c1-2-8-10-11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/q-1
InChIKeyMIOBDYNVBBXJQV-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.60
Rot. Bonds4

About phenyl(propoxy)phosphanide

phenyl(propoxy)phosphanide (PubChem CID 141016569) has the molecular formula C9H12OP- and a molecular weight of 167.17 g/mol. Its IUPAC name is phenyl(propoxy)phosphanide.

Molecular Properties

Compound Namephenyl(propoxy)phosphanide
PubChem CID141016569
Molecular FormulaC9H12OP-
Molecular Weight167.17 g/mol
Exact Mass167.06
IUPAC Namephenyl(propoxy)phosphanide
SMILESCCCO[P-]c1ccccc1
InChIInChI=1S/C9H12OP/c1-2-8-10-11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/q-1
InChIKeyMIOBDYNVBBXJQV-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium hexoxy(phenyl)phosphanide
CID 141016272
propylperoxybenzene
CID 87444466
N-propoxyaniline;hydrochloride
CID 158876543
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
[diphenyl(propoxy)silyl]-diphenyl-propoxysilane
CID 4983339
phenol;propane;1-propoxypropane
CID 162084226
ethoxybenzene;propoxybenzene
CID 67747691
(dipropoxy)phenylsilane
CID 22450849
[(1R,2R)-2-phenyl-1,2-dipropoxyethyl]benzene
CID 10983775
triphenyl(propoxycarbonyl)phosphanium
CID 155678624
methyl-phenyl-dipropoxyphosphanium
CID 69053143

Frequently Asked Questions

What is the IUPAC name of phenyl(propoxy)phosphanide?
The IUPAC name of phenyl(propoxy)phosphanide (CID 141016569) is phenyl(propoxy)phosphanide.
What is the SMILES notation for phenyl(propoxy)phosphanide?
The canonical SMILES for phenyl(propoxy)phosphanide is CCCO[P-]c1ccccc1.
What is the InChIKey of phenyl(propoxy)phosphanide?
The InChIKey is MIOBDYNVBBXJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OP/c1-2-8-10-11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/q-1.
What are the key properties of phenyl(propoxy)phosphanide?
phenyl(propoxy)phosphanide has a molecular weight of 167.17 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(propoxy)phosphanide is sourced from PubChem (CID 141016569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).