dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene

C17H24O5P+ — CID 67631254

IUPACdihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene
SMILESCCC(CC)(OC)c1cccc2cc(OC)ccc12.O=[P+](O)O
InChIInChI=1S/C17H22O2.HO3P/c1-5-17(6-2,19-4)16-9-7-8-13-12-14(18-3)10-11-15(13)16;1-4(2)3/h7-12H,5-6H2,1-4H3;(H-,1,2,3)/p+1
InChIKeyWTHIPXZDDTWCFM-UHFFFAOYSA-O
MW339.35 g/mol
LogP4.14
Rot. Bonds5

About dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene

dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene (PubChem CID 67631254) has the molecular formula C17H24O5P+ and a molecular weight of 339.35 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene
PubChem CID67631254
Molecular FormulaC17H24O5P+
Molecular Weight339.35 g/mol
Exact Mass339.14
IUPAC Namedihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene
SMILESCCC(CC)(OC)c1cccc2cc(OC)ccc12.O=[P+](O)O
InChIInChI=1S/C17H22O2.HO3P/c1-5-17(6-2,19-4)16-9-7-8-13-12-14(18-3)10-11-15(13)16;1-4(2)3/h7-12H,5-6H2,1-4H3;(H-,1,2,3)/p+1
InChIKeyWTHIPXZDDTWCFM-UHFFFAOYSA-O
XLogP4.14
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
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 dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene?
The IUPAC name of dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene (CID 67631254) is dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene.
What is the SMILES notation for dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene?
The canonical SMILES for dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene is CCC(CC)(OC)c1cccc2cc(OC)ccc12.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene?
The InChIKey is WTHIPXZDDTWCFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22O2.HO3P/c1-5-17(6-2,19-4)16-9-7-8-13-12-14(18-3)10-11-15(13)16;1-4(2)3/h7-12H,5-6H2,1-4H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene?
dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene has a molecular weight of 339.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;6-methoxy-1-(3-methoxypentan-3-yl)naphthalene is sourced from PubChem (CID 67631254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).