(4-cyanophenyl)methoxy-hydroxy-oxophosphanium

C8H7NO3P+ — CID 67743268

IUPAC(4-cyanophenyl)methoxy-hydroxy-oxophosphanium
SMILESN#Cc1ccc(CO[P+](=O)O)cc1
InChIInChI=1S/C8H6NO3P/c9-5-7-1-3-8(4-2-7)6-12-13(10)11/h1-4H,6H2/p+1
InChIKeyOSGTYKHWSVSXTE-UHFFFAOYSA-O
MW196.12 g/mol
LogP1.72
Rot. Bonds3

About (4-cyanophenyl)methoxy-hydroxy-oxophosphanium

(4-cyanophenyl)methoxy-hydroxy-oxophosphanium (PubChem CID 67743268) has the molecular formula C8H7NO3P+ and a molecular weight of 196.12 g/mol. Its IUPAC name is (4-cyanophenyl)methoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(4-cyanophenyl)methoxy-hydroxy-oxophosphanium
PubChem CID67743268
Molecular FormulaC8H7NO3P+
Molecular Weight196.12 g/mol
Exact Mass196.02
IUPAC Name(4-cyanophenyl)methoxy-hydroxy-oxophosphanium
SMILESN#Cc1ccc(CO[P+](=O)O)cc1
InChIInChI=1S/C8H6NO3P/c9-5-7-1-3-8(4-2-7)6-12-13(10)11/h1-4H,6H2/p+1
InChIKeyOSGTYKHWSVSXTE-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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Related Compounds

(3-cyanophenyl)methoxy-hydroxy-oxophosphanium
CID 175462274
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
(4-cyanophenyl)methyl formate
CID 18398424
[4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium
CID 175430869
4-[(dichloroamino)oxymethyl]benzonitrile
CID 23435753
ethane;4-(2-oxopropoxymethyl)benzonitrile
CID 142506335
(4-cyanophenyl)methyl 4-hydroxybenzoate
CID 2465166
2-[(4-cyanophenyl)methoxy]-2-oxoethanesulfinate
CID 69304261
4-(propan-2-yloxymethyl)benzonitrile
CID 15647231
(4-cyanophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate
CID 7834028
(4-cyanophenyl)methyl 4-(hydroxymethyl)benzoate
CID 2637507
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methoxy-hydroxy-oxophosphanium?
The IUPAC name of (4-cyanophenyl)methoxy-hydroxy-oxophosphanium (CID 67743268) is (4-cyanophenyl)methoxy-hydroxy-oxophosphanium.
What is the SMILES notation for (4-cyanophenyl)methoxy-hydroxy-oxophosphanium?
The canonical SMILES for (4-cyanophenyl)methoxy-hydroxy-oxophosphanium is N#Cc1ccc(CO[P+](=O)O)cc1.
What is the InChIKey of (4-cyanophenyl)methoxy-hydroxy-oxophosphanium?
The InChIKey is OSGTYKHWSVSXTE-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6NO3P/c9-5-7-1-3-8(4-2-7)6-12-13(10)11/h1-4H,6H2/p+1.
What are the key properties of (4-cyanophenyl)methoxy-hydroxy-oxophosphanium?
(4-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 (4-cyanophenyl)methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 67743268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).