naphthalen-2-yl phosphanyl selenate

C10H9O4PSe — CID 175278679

IUPACnaphthalen-2-yl phosphanyl selenate
SMILESO=[Se](=O)(OP)Oc1ccc2ccccc2c1
InChIInChI=1S/C10H9O4PSe/c11-16(12,14-15)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,15H2
InChIKeyHUMMBQVUCXVXLV-UHFFFAOYSA-N
MW303.11 g/mol
LogP2.32
Rot. Bonds3

About naphthalen-2-yl phosphanyl selenate

naphthalen-2-yl phosphanyl selenate (PubChem CID 175278679) has the molecular formula C10H9O4PSe and a molecular weight of 303.11 g/mol. Its IUPAC name is naphthalen-2-yl phosphanyl selenate.

Molecular Properties

Compound Namenaphthalen-2-yl phosphanyl selenate
PubChem CID175278679
Molecular FormulaC10H9O4PSe
Molecular Weight303.11 g/mol
Exact Mass303.94
IUPAC Namenaphthalen-2-yl phosphanyl selenate
SMILESO=[Se](=O)(OP)Oc1ccc2ccccc2c1
InChIInChI=1S/C10H9O4PSe/c11-16(12,14-15)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,15H2
InChIKeyHUMMBQVUCXVXLV-UHFFFAOYSA-N
XLogP2.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl phosphanyl selenate?
The IUPAC name of naphthalen-2-yl phosphanyl selenate (CID 175278679) is naphthalen-2-yl phosphanyl selenate.
What is the SMILES notation for naphthalen-2-yl phosphanyl selenate?
The canonical SMILES for naphthalen-2-yl phosphanyl selenate is O=[Se](=O)(OP)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl phosphanyl selenate?
The InChIKey is HUMMBQVUCXVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O4PSe/c11-16(12,14-15)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,15H2.
What are the key properties of naphthalen-2-yl phosphanyl selenate?
naphthalen-2-yl phosphanyl selenate has a molecular weight of 303.11 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl phosphanyl selenate is sourced from PubChem (CID 175278679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).