Esflurbiprofen

C15H13FO2 — CID 72099

IUPAC(2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid
SMILESC[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O
InChIInChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKeySYTBZMRGLBWNTM-JTQLQIEISA-N
MW244.26 g/mol
LogP4.20
Rot. Bonds3

About Esflurbiprofen

Esflurbiprofen (PubChem CID 72099) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid.

Molecular Properties

Compound NameEsflurbiprofen
PubChem CID72099
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name(2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid
SMILESC[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O
InChIInChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKeySYTBZMRGLBWNTM-JTQLQIEISA-N
XLogP4.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity286

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze Esflurbiprofen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenylacetic Acid
CID 999
Ibuprofen, (+-)-
CID 3672
Felbinac
CID 3332
Flurbiprofen
CID 3394
Dexibuprofen
CID 39912
2-Phenylpropionic acid
CID 10296
Loxoprofen
CID 3965
Ibuprofen, (-)-
CID 114864
Flurbiprofen Axetil
CID 3395
Ibufenac
CID 15250
2-Phenylbutyric Acid
CID 7012
Tarenflurbil
CID 92337

Frequently Asked Questions

What is the IUPAC name of Esflurbiprofen?
The IUPAC name of Esflurbiprofen (CID 72099) is (2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid.
What is the SMILES notation for Esflurbiprofen?
The canonical SMILES for Esflurbiprofen is C[C@@H](C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O.
What is the InChIKey of Esflurbiprofen?
The InChIKey is SYTBZMRGLBWNTM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of Esflurbiprofen?
Esflurbiprofen has a molecular weight of 244.26 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Esflurbiprofen is sourced from PubChem (CID 72099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).