(2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate

C18H15NO4 — CID 123604144

IUPAC(2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate
SMILESO=C(On1c(O)ccc1O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15NO4/c20-15-11-12-16(21)19(15)23-18(22)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17,20-21H
InChIKeyVAHVEGATUFBHAA-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.69
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate

(2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate (PubChem CID 123604144) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate
PubChem CID123604144
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate
SMILESO=C(On1c(O)ccc1O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15NO4/c20-15-11-12-16(21)19(15)23-18(22)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17,20-21H
InChIKeyVAHVEGATUFBHAA-UHFFFAOYSA-N
XLogP2.69
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
tris[(2,2-diphenylacetyl)oxy]stannyl 2,2-diphenylacetate
CID 141350105
CID 90761188
CID 90761188
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
(2,5-dihydroxypyrrol-1-yl) phosphanylformate
CID 123415594
benzene-1,2-diol;2,2-diphenylacetic acid
CID 70395054
(2,2-diphenylacetyl) 2,2,2-trifluoroacetate
CID 90806086
(2,5-dihydroxypyrrol-1-yl) (2S)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]butanoate
CID 54010967
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate (CID 123604144) is (2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate is O=C(On1c(O)ccc1O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate?
The InChIKey is VAHVEGATUFBHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-15-11-12-16(21)19(15)23-18(22)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17,20-21H.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate?
(2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate has a molecular weight of 309.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2,2-diphenylacetate is sourced from PubChem (CID 123604144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).