phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate

C23H15FO2 — CID 143110407

IUPACphenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C23H15FO2/c24-18-13-10-17(11-14-18)22-20-9-5-4-6-16(20)12-15-21(22)23(25)26-19-7-2-1-3-8-19/h1-15H
InChIKeyKKJGTZREIWCFFO-UHFFFAOYSA-N
MW342.37 g/mol
LogP5.87
Rot. Bonds3

About phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate

phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate (PubChem CID 143110407) has the molecular formula C23H15FO2 and a molecular weight of 342.37 g/mol. Its IUPAC name is phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namephenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate
PubChem CID143110407
Molecular FormulaC23H15FO2
Molecular Weight342.37 g/mol
Exact Mass342.11
IUPAC Namephenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate
SMILESO=C(Oc1ccccc1)c1ccc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C23H15FO2/c24-18-13-10-17(11-14-18)22-20-9-5-4-6-16(20)12-15-21(22)23(25)26-19-7-2-1-3-8-19/h1-15H
InChIKeyKKJGTZREIWCFFO-UHFFFAOYSA-N
XLogP5.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.37
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate?
The IUPAC name of phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate (CID 143110407) is phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate.
What is the SMILES notation for phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate?
The canonical SMILES for phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate is O=C(Oc1ccccc1)c1ccc2ccccc2c1-c1ccc(F)cc1.
What is the InChIKey of phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate?
The InChIKey is KKJGTZREIWCFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FO2/c24-18-13-10-17(11-14-18)22-20-9-5-4-6-16(20)12-15-21(22)23(25)26-19-7-2-1-3-8-19/h1-15H.
What are the key properties of phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate?
phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate has a molecular weight of 342.37 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1-(4-fluorophenyl)naphthalene-2-carboxylate is sourced from PubChem (CID 143110407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).