(2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate

C13H13NO6 — CID 54365996

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate
SMILESO=C(COc1ccc(CO)cc1)On1c(O)ccc1O
InChIInChI=1S/C13H13NO6/c15-7-9-1-3-10(4-2-9)19-8-13(18)20-14-11(16)5-6-12(14)17/h1-6,15-17H,7-8H2
InChIKeyUPUVREJGHVMRDD-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.43
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate

(2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate (PubChem CID 54365996) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate
PubChem CID54365996
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate
SMILESO=C(COc1ccc(CO)cc1)On1c(O)ccc1O
InChIInChI=1S/C13H13NO6/c15-7-9-1-3-10(4-2-9)19-8-13(18)20-14-11(16)5-6-12(14)17/h1-6,15-17H,7-8H2
InChIKeyUPUVREJGHVMRDD-UHFFFAOYSA-N
XLogP0.43
TPSA101.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) 2-phosphanyloxyacetate
CID 54352633
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
bis(2,5-dihydroxypyrrol-1-yl) docosanedioate
CID 90829981
2-[4-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28561557
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616
1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 104751881
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
(2,5-dihydroxypyrrol-1-yl) 5-aminopentanoate
CID 91419311
1-(2,5-dichlorothiophen-3-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60652429
1-(furan-2-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623751
[4-(fluoromethoxy)phenyl]methanol
CID 54255227

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate (CID 54365996) is (2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate is O=C(COc1ccc(CO)cc1)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate?
The InChIKey is UPUVREJGHVMRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO6/c15-7-9-1-3-10(4-2-9)19-8-13(18)20-14-11(16)5-6-12(14)17/h1-6,15-17H,7-8H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate?
(2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate has a molecular weight of 279.25 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-[4-(hydroxymethyl)phenoxy]acetate is sourced from PubChem (CID 54365996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).