(3-cyanophenyl)methoxy-hydroxy-oxophosphanium

C8H7NO3P+ — CID 175462274

IUPAC(3-cyanophenyl)methoxy-hydroxy-oxophosphanium
SMILESN#Cc1cccc(CO[P+](=O)O)c1
InChIInChI=1S/C8H6NO3P/c9-5-7-2-1-3-8(4-7)6-12-13(10)11/h1-4H,6H2/p+1
InChIKeyIOBOLWXVGFTLST-UHFFFAOYSA-O
MW196.12 g/mol
LogP1.72
Rot. Bonds3

About (3-cyanophenyl)methoxy-hydroxy-oxophosphanium

(3-cyanophenyl)methoxy-hydroxy-oxophosphanium (PubChem CID 175462274) has the molecular formula C8H7NO3P+ and a molecular weight of 196.12 g/mol. Its IUPAC name is (3-cyanophenyl)methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(3-cyanophenyl)methoxy-hydroxy-oxophosphanium
PubChem CID175462274
Molecular FormulaC8H7NO3P+
Molecular Weight196.12 g/mol
Exact Mass196.02
IUPAC Name(3-cyanophenyl)methoxy-hydroxy-oxophosphanium
SMILESN#Cc1cccc(CO[P+](=O)O)c1
InChIInChI=1S/C8H6NO3P/c9-5-7-2-1-3-8(4-7)6-12-13(10)11/h1-4H,6H2/p+1
InChIKeyIOBOLWXVGFTLST-UHFFFAOYSA-O
XLogP1.72
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methoxy-hydroxy-oxophosphanium?
The IUPAC name of (3-cyanophenyl)methoxy-hydroxy-oxophosphanium (CID 175462274) is (3-cyanophenyl)methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for (3-cyanophenyl)methoxy-hydroxy-oxophosphanium?
The canonical SMILES for (3-cyanophenyl)methoxy-hydroxy-oxophosphanium is N#Cc1cccc(CO[P+](=O)O)c1.
What is the InChIKey of (3-cyanophenyl)methoxy-hydroxy-oxophosphanium?
The InChIKey is IOBOLWXVGFTLST-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6NO3P/c9-5-7-2-1-3-8(4-7)6-12-13(10)11/h1-4H,6H2/p+1.
What are the key properties of (3-cyanophenyl)methoxy-hydroxy-oxophosphanium?
(3-cyanophenyl)methoxy-hydroxy-oxophosphanium has a molecular weight of 196.12 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 175462274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).