(2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate

C12H10FNO5 — CID 91510570

IUPAC(2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate
SMILESO=C(OCc1ccc(F)cc1)On1c(O)ccc1O
InChIInChI=1S/C12H10FNO5/c13-9-3-1-8(2-4-9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-6,15-16H,7H2
InChIKeyWSERAOVZRJMZPJ-UHFFFAOYSA-N
MW267.21 g/mol
LogP1.80
Rot. Bonds3

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

(2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate (PubChem CID 91510570) has the molecular formula C12H10FNO5 and a molecular weight of 267.21 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate
PubChem CID91510570
Molecular FormulaC12H10FNO5
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name(2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate
SMILESO=C(OCc1ccc(F)cc1)On1c(O)ccc1O
InChIInChI=1S/C12H10FNO5/c13-9-3-1-8(2-4-9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-6,15-16H,7H2
InChIKeyWSERAOVZRJMZPJ-UHFFFAOYSA-N
XLogP1.80
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate (CID 91510570) is (2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate is O=C(OCc1ccc(F)cc1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate?
The InChIKey is WSERAOVZRJMZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5/c13-9-3-1-8(2-4-9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-6,15-16H,7H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate?
(2,5-dihydroxypyrrol-1-yl) (4-fluorophenyl)methyl carbonate has a molecular weight of 267.21 g/mol, XLogP of 1.80, 3 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-fluorophenyl)methyl carbonate is sourced from PubChem (CID 91510570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).