1-diphenylphosphorylnaphthalene-2,7-diol

C22H17O3P — CID 139927027

IUPAC1-diphenylphosphorylnaphthalene-2,7-diol
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C22H17O3P/c23-17-13-11-16-12-14-21(24)22(20(16)15-17)26(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,23-24H
InChIKeyVFLFMEORSKKIJR-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.89
Rot. Bonds3

About 1-diphenylphosphorylnaphthalene-2,7-diol

1-diphenylphosphorylnaphthalene-2,7-diol (PubChem CID 139927027) has the molecular formula C22H17O3P and a molecular weight of 360.35 g/mol. Its IUPAC name is 1-diphenylphosphorylnaphthalene-2,7-diol.

Molecular Properties

Compound Name1-diphenylphosphorylnaphthalene-2,7-diol
PubChem CID139927027
Molecular FormulaC22H17O3P
Molecular Weight360.35 g/mol
Exact Mass360.09
IUPAC Name1-diphenylphosphorylnaphthalene-2,7-diol
SMILESO=P(c1ccccc1)(c1ccccc1)c1c(O)ccc2ccc(O)cc12
InChIInChI=1S/C22H17O3P/c23-17-13-11-16-12-14-21(24)22(20(16)15-17)26(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,23-24H
InChIKeyVFLFMEORSKKIJR-UHFFFAOYSA-N
XLogP3.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.89
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 1-diphenylphosphorylnaphthalene-2,7-diol?
The IUPAC name of 1-diphenylphosphorylnaphthalene-2,7-diol (CID 139927027) is 1-diphenylphosphorylnaphthalene-2,7-diol.
What is the SMILES notation for 1-diphenylphosphorylnaphthalene-2,7-diol?
The canonical SMILES for 1-diphenylphosphorylnaphthalene-2,7-diol is O=P(c1ccccc1)(c1ccccc1)c1c(O)ccc2ccc(O)cc12.
What is the InChIKey of 1-diphenylphosphorylnaphthalene-2,7-diol?
The InChIKey is VFLFMEORSKKIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17O3P/c23-17-13-11-16-12-14-21(24)22(20(16)15-17)26(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,23-24H.
What are the key properties of 1-diphenylphosphorylnaphthalene-2,7-diol?
1-diphenylphosphorylnaphthalene-2,7-diol has a molecular weight of 360.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylnaphthalene-2,7-diol is sourced from PubChem (CID 139927027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).