(2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate

C14H15NO6 — CID 54544586

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)On2c(O)ccc2O)cc1OC
InChIInChI=1S/C14H15NO6/c1-19-10-4-3-9(7-11(10)20-2)8-14(18)21-15-12(16)5-6-13(15)17/h3-7,16-17H,8H2,1-2H3
InChIKeyZFQFMQMHDYCWRY-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.11
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate

(2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 54544586) has the molecular formula C14H15NO6 and a molecular weight of 293.28 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate
PubChem CID54544586
Molecular FormulaC14H15NO6
Molecular Weight293.28 g/mol
Exact Mass293.09
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)On2c(O)ccc2O)cc1OC
InChIInChI=1S/C14H15NO6/c1-19-10-4-3-9(7-11(10)20-2)8-14(18)21-15-12(16)5-6-13(15)17/h3-7,16-17H,8H2,1-2H3
InChIKeyZFQFMQMHDYCWRY-UHFFFAOYSA-N
XLogP1.11
TPSA90.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1,3-dioxoisoindol-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 23966444
methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
CID 586458
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
(E)-5-(3,4-dimethoxyphenyl)-4-methylpent-3-en-2-one
CID 103970851
[(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate
CID 96523533
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114
methyl 3-(3,4-dimethoxyphenyl)-2-oxopropanoate
CID 15852024
(2,5-dihydroxypyrrol-1-yl) 2-[4-[bis(2-methylpropyl)silyl]phenyl]acetate
CID 123456386
2-[4-[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxy-3-methoxyphenyl]acetic acid
CID 54022503
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
(7-methoxynaphthalen-2-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 27846226

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate (CID 54544586) is (2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)On2c(O)ccc2O)cc1OC.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is ZFQFMQMHDYCWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO6/c1-19-10-4-3-9(7-11(10)20-2)8-14(18)21-15-12(16)5-6-13(15)17/h3-7,16-17H,8H2,1-2H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate?
(2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 293.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 54544586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).