(2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate

C14H12FNO5 — CID 54276619

IUPAC(2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc(F)cc1)On1c(O)ccc1O
InChIInChI=1S/C14H12FNO5/c15-10-3-1-9(2-4-10)11(17)5-8-14(20)21-16-12(18)6-7-13(16)19/h1-4,6-7,18-19H,5,8H2
InChIKeyRNVYKWUDFVNDBU-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.66
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate

(2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 54276619) has the molecular formula C14H12FNO5 and a molecular weight of 293.25 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID54276619
Molecular FormulaC14H12FNO5
Molecular Weight293.25 g/mol
Exact Mass293.07
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc(F)cc1)On1c(O)ccc1O
InChIInChI=1S/C14H12FNO5/c15-10-3-1-9(2-4-10)11(17)5-8-14(20)21-16-12(18)6-7-13(16)19/h1-4,6-7,18-19H,5,8H2
InChIKeyRNVYKWUDFVNDBU-UHFFFAOYSA-N
XLogP1.66
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 4-fluorobenzoate
CID 53806470
(2,5-Dihydroxypyrrol-1-yl) benzoate
CID 53641498
(2,5-Dihydroxypyrrol-1-yl) 4-formylbenzoate
CID 54022956
(2,5-Dihydroxypyrrol-1-yl) 4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoate
CID 54035650
(2,5-Dioxopyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)benzoate
CID 54206814
Bis(2,5-dihydroxypyrrol-1-yl) benzene-1,4-dicarboxylate
CID 54481700
2-O-(2,5-dihydroxypyrrol-1-yl) 1-O-methyl benzene-1,2-dicarboxylate
CID 90740315
(2,5-Dihydroxypyrrol-1-yl) 4-ethenylbenzoate
CID 90879181
(2,5-Dihydroxypyrrol-1-yl) 2-diphenylphosphanylbenzoate
CID 91021423
(2,5-Dihydroxypyrrol-1-yl) 2-formylbenzoate
CID 91545518
(2,5-Dihydroxypyrrol-1-yl) 4-azidobenzoate
CID 136133759
(2,5-Dihydroxypyrrol-1-yl) 3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 53649120

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate (CID 54276619) is (2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate is O=C(CCC(=O)c1ccc(F)cc1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is RNVYKWUDFVNDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5/c15-10-3-1-9(2-4-10)11(17)5-8-14(20)21-16-12(18)6-7-13(16)19/h1-4,6-7,18-19H,5,8H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate?
(2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 293.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 54276619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).