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

C13H13NO5 — CID 91471476

IUPAC(2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate
SMILESCc1ccc(COC(=O)On2c(O)ccc2O)cc1
InChIInChI=1S/C13H13NO5/c1-9-2-4-10(5-3-9)8-18-13(17)19-14-11(15)6-7-12(14)16/h2-7,15-16H,8H2,1H3
InChIKeyYLEXRICNJNGOCN-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.97
Rot. Bonds3

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

(2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate (PubChem CID 91471476) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate
PubChem CID91471476
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate
SMILESCc1ccc(COC(=O)On2c(O)ccc2O)cc1
InChIInChI=1S/C13H13NO5/c1-9-2-4-10(5-3-9)8-18-13(17)19-14-11(15)6-7-12(14)16/h2-7,15-16H,8H2,1H3
InChIKeyYLEXRICNJNGOCN-UHFFFAOYSA-N
XLogP1.97
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)methyl (2,5-dihydroxypyrrol-1-yl) carbonate
CID 91241463
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
iodo (4-methylphenyl)methyl carbonate
CID 170151158
bis(2,5-dioxopyrrolidin-1-yl) carbonate;(2,5-dioxopyrrolidin-1-yl) (4-methylphenyl)methyl carbonate
CID 162254315
(2,5-dihydroxypyrrol-1-yl) 5-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypentyl carbonate
CID 54220759
(4-methylphenyl)methyl 2-chloroacetate
CID 11275652
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
tert-butyl (2,5-dihydroxypyrrol-1-yl) carbonate
CID 54472893
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
(4-methylphenyl)methyl (2S)-2,3-dimethylbutanoate
CID 59174150
(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate
CID 144833958
benzyl (4-methylphenyl) carbonate
CID 118690287

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate (CID 91471476) is (2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate is Cc1ccc(COC(=O)On2c(O)ccc2O)cc1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate?
The InChIKey is YLEXRICNJNGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-9-2-4-10(5-3-9)8-18-13(17)19-14-11(15)6-7-12(14)16/h2-7,15-16H,8H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate?
(2,5-dihydroxypyrrol-1-yl) (4-methylphenyl)methyl carbonate has a molecular weight of 263.25 g/mol, XLogP of 1.97, 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-methylphenyl)methyl carbonate is sourced from PubChem (CID 91471476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).