[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate

C15H13FO3 — CID 7890575

IUPAC[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate
SMILESC[C@H](OC(=O)c1ccccc1O)c1ccc(F)cc1
InChIInChI=1S/C15H13FO3/c1-10(11-6-8-12(16)9-7-11)19-15(18)13-4-2-3-5-14(13)17/h2-10,17H,1H3/t10-/m0/s1
InChIKeyUWTWCJXQYGSGHV-JTQLQIEISA-N
MW260.26 g/mol
LogP3.45
Rot. Bonds3

About [(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate

[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate (PubChem CID 7890575) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate
PubChem CID7890575
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate
SMILESC[C@H](OC(=O)c1ccccc1O)c1ccc(F)cc1
InChIInChI=1S/C15H13FO3/c1-10(11-6-8-12(16)9-7-11)19-15(18)13-4-2-3-5-14(13)17/h2-10,17H,1H3/t10-/m0/s1
InChIKeyUWTWCJXQYGSGHV-JTQLQIEISA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate (CID 7890575) is [(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate is C[C@H](OC(=O)c1ccccc1O)c1ccc(F)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate?
The InChIKey is UWTWCJXQYGSGHV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13FO3/c1-10(11-6-8-12(16)9-7-11)19-15(18)13-4-2-3-5-14(13)17/h2-10,17H,1H3/t10-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate?
[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate has a molecular weight of 260.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate is sourced from PubChem (CID 7890575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).