bis(naphthalen-1-ol);phosphoric acid

C20H19O6P — CID 174499172

IUPACbis(naphthalen-1-ol);phosphoric acid
SMILESO=P(O)(O)O.Oc1cccc2ccccc12.Oc1cccc2ccccc12
InChIInChI=1S/2C10H8O.H3O4P/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-5(2,3)4/h2*1-7,11H;(H3,1,2,3,4)
InChIKeyFDZMMNFEOKSYPZ-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.16
Rot. Bonds

About bis(naphthalen-1-ol);phosphoric acid

bis(naphthalen-1-ol);phosphoric acid (PubChem CID 174499172) has the molecular formula C20H19O6P and a molecular weight of 386.34 g/mol. Its IUPAC name is bis(naphthalen-1-ol);phosphoric acid.

Molecular Properties

Compound Namebis(naphthalen-1-ol);phosphoric acid
PubChem CID174499172
Molecular FormulaC20H19O6P
Molecular Weight386.34 g/mol
Exact Mass386.09
IUPAC Namebis(naphthalen-1-ol);phosphoric acid
SMILESO=P(O)(O)O.Oc1cccc2ccccc12.Oc1cccc2ccccc12
InChIInChI=1S/2C10H8O.H3O4P/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-5(2,3)4/h2*1-7,11H;(H3,1,2,3,4)
InChIKeyFDZMMNFEOKSYPZ-UHFFFAOYSA-N
XLogP4.16
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.16
H-Bond Donors ≤ 55
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 bis(naphthalen-1-ol);phosphoric acid?
The IUPAC name of bis(naphthalen-1-ol);phosphoric acid (CID 174499172) is bis(naphthalen-1-ol);phosphoric acid.
What is the SMILES notation for bis(naphthalen-1-ol);phosphoric acid?
The canonical SMILES for bis(naphthalen-1-ol);phosphoric acid is O=P(O)(O)O.Oc1cccc2ccccc12.Oc1cccc2ccccc12.
What is the InChIKey of bis(naphthalen-1-ol);phosphoric acid?
The InChIKey is FDZMMNFEOKSYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8O.H3O4P/c2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-5(2,3)4/h2*1-7,11H;(H3,1,2,3,4).
What are the key properties of bis(naphthalen-1-ol);phosphoric acid?
bis(naphthalen-1-ol);phosphoric acid has a molecular weight of 386.34 g/mol, XLogP of 4.16, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(naphthalen-1-ol);phosphoric acid is sourced from PubChem (CID 174499172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).