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

C12H10FNO5 — CID 91121680

IUPAC(2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate
SMILESO=C(OCc1ccccc1F)On1c(O)ccc1O
InChIInChI=1S/C12H10FNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-6,15-16H,7H2
InChIKeyIUBCGDOFBKBLOA-UHFFFAOYSA-N
MW267.21 g/mol
LogP1.80
Rot. Bonds3

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

(2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate (PubChem CID 91121680) has the molecular formula C12H10FNO5 and a molecular weight of 267.21 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate
PubChem CID91121680
Molecular FormulaC12H10FNO5
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name(2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate
SMILESO=C(OCc1ccccc1F)On1c(O)ccc1O
InChIInChI=1S/C12H10FNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-6,15-16H,7H2
InChIKeyIUBCGDOFBKBLOA-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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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 4-fluorobenzoate
CID 53806470
(2,5-dihydroxypyrrol-1-yl) 9H-fluoren-9-ylmethyl carbonate
CID 53823034
(2-Chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate
CID 54012326
(2,5-Dihydroxypyrrol-1-yl) 3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 53649120
(2,5-Dihydroxypyrrol-1-yl) 3-(3-fluoro-4-hydroxyphenyl)propanoate
CID 54159161
(2,5-Dihydroxypyrrol-1-yl) 3-(4-fluorophenyl)prop-2-enoate
CID 54350533
(2,5-Dihydroxypyrrol-1-yl) 3-fluorobenzoate
CID 91017175
(2,5-Dihydroxypyrrol-1-yl) [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]methyl carbonate
CID 91035398
(2,5-Dihydroxypyrrol-1-yl) 1-[3-(trifluoromethyl)phenyl]ethyl carbonate
CID 91166452
(2,5-Dihydroxypyrrol-1-yl) 1-[2-(trifluoromethyl)phenyl]ethyl carbonate
CID 91193723
1-(2,6-Difluorophenyl)ethyl (2,5-dihydroxypyrrol-1-yl) carbonate
CID 91199337
(2,5-Dihydroxypyrrol-1-yl) 2-fluorobenzoate
CID 91258146

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate (CID 91121680) is (2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate is O=C(OCc1ccccc1F)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) (2-fluorophenyl)methyl carbonate?
The InChIKey is IUBCGDOFBKBLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5/c13-9-4-2-1-3-8(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) (2-fluorophenyl)methyl carbonate?
(2,5-dihydroxypyrrol-1-yl) (2-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) (2-fluorophenyl)methyl carbonate is sourced from PubChem (CID 91121680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).