naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium

C13H12O3P+ — CID 174568818

IUPACnaphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)Oc1cccc2ccccc12
InChIInChI=1S/C13H12O3P/c1-2-10-15-17(14)16-13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2/q+1
InChIKeyKNUAFLIFIMYZSH-UHFFFAOYSA-N
MW247.21 g/mol
LogP4.08
Rot. Bonds5

About naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium

naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium (PubChem CID 174568818) has the molecular formula C13H12O3P+ and a molecular weight of 247.21 g/mol. Its IUPAC name is naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium.

Molecular Properties

Compound Namenaphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium
PubChem CID174568818
Molecular FormulaC13H12O3P+
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Namenaphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)Oc1cccc2ccccc12
InChIInChI=1S/C13H12O3P/c1-2-10-15-17(14)16-13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2/q+1
InChIKeyKNUAFLIFIMYZSH-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxirane;1-prop-2-enoxynaphthalene
CID 174790954
naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate
CID 176885863
naphthalen-1-yl prop-2-enoate
CID 10192638
1-prop-2-enoxyanthracene
CID 141089148
4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine
CID 2249610
bis(2-formylphenoxy)-oxophosphanium
CID 87515933
CID 54342981
CID 54342981
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211
(E)-dinaphthalen-1-yloxydiazene
CID 67562548
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium?
The IUPAC name of naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium (CID 174568818) is naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium.
What is the SMILES notation for naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium?
The canonical SMILES for naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium is C=CCO[P+](=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium?
The InChIKey is KNUAFLIFIMYZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3P/c1-2-10-15-17(14)16-13-9-5-7-11-6-3-4-8-12(11)13/h2-9H,1,10H2/q+1.
What are the key properties of naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium?
naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium has a molecular weight of 247.21 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yloxy-oxo-prop-2-enoxyphosphanium is sourced from PubChem (CID 174568818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).