4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol

C28H20FO3P — CID 175169509

IUPAC4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol
SMILESO=P(Oc1c(-c2ccccc2)cc(O)c2ccc(F)cc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20FO3P/c29-21-16-17-24-26(18-21)28(25(19-27(24)30)20-10-4-1-5-11-20)32-33(31,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,30H
InChIKeyOZZNJCPAYQCBEA-UHFFFAOYSA-N
MW454.44 g/mol
LogP6.66
Rot. Bonds5

About 4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol

4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol (PubChem CID 175169509) has the molecular formula C28H20FO3P and a molecular weight of 454.44 g/mol. Its IUPAC name is 4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol.

Molecular Properties

Compound Name4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol
PubChem CID175169509
Molecular FormulaC28H20FO3P
Molecular Weight454.44 g/mol
Exact Mass454.11
IUPAC Name4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol
SMILESO=P(Oc1c(-c2ccccc2)cc(O)c2ccc(F)cc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20FO3P/c29-21-16-17-24-26(18-21)28(25(19-27(24)30)20-10-4-1-5-11-20)32-33(31,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,30H
InChIKeyOZZNJCPAYQCBEA-UHFFFAOYSA-N
XLogP6.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.44
LogP ≤ 56.66
H-Bond Donors ≤ 51
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 4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol?
The IUPAC name of 4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol (CID 175169509) is 4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol.
What is the SMILES notation for 4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol?
The canonical SMILES for 4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol is O=P(Oc1c(-c2ccccc2)cc(O)c2ccc(F)cc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol?
The InChIKey is OZZNJCPAYQCBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FO3P/c29-21-16-17-24-26(18-21)28(25(19-27(24)30)20-10-4-1-5-11-20)32-33(31,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19,30H.
What are the key properties of 4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol?
4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol has a molecular weight of 454.44 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryloxy-6-fluoro-3-phenylnaphthalen-1-ol is sourced from PubChem (CID 175169509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).