ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate

C19H18FNO3 — CID 141035329

IUPACethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate
SMILESCCOC(=O)C1=C(O)C(F)(c2ccccc2)CN1c1ccccc1
InChIInChI=1S/C19H18FNO3/c1-2-24-18(23)16-17(22)19(20,14-9-5-3-6-10-14)13-21(16)15-11-7-4-8-12-15/h3-12,22H,2,13H2,1H3
InChIKeyYVPYOZZYMIZVCT-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.70
Rot. Bonds4

About ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate

ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate (PubChem CID 141035329) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate
PubChem CID141035329
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Nameethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate
SMILESCCOC(=O)C1=C(O)C(F)(c2ccccc2)CN1c1ccccc1
InChIInChI=1S/C19H18FNO3/c1-2-24-18(23)16-17(22)19(20,14-9-5-3-6-10-14)13-21(16)15-11-7-4-8-12-15/h3-12,22H,2,13H2,1H3
InChIKeyYVPYOZZYMIZVCT-UHFFFAOYSA-N
XLogP3.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate?
The IUPAC name of ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate (CID 141035329) is ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate?
The canonical SMILES for ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate is CCOC(=O)C1=C(O)C(F)(c2ccccc2)CN1c1ccccc1.
What is the InChIKey of ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate?
The InChIKey is YVPYOZZYMIZVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-2-24-18(23)16-17(22)19(20,14-9-5-3-6-10-14)13-21(16)15-11-7-4-8-12-15/h3-12,22H,2,13H2,1H3.
What are the key properties of ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate?
ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate has a molecular weight of 327.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-4-hydroxy-1,3-diphenyl-2H-pyrrole-5-carboxylate is sourced from PubChem (CID 141035329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).