methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate

C19H17NO3 — CID 57423685

IUPACmethyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate
SMILESCOC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(O)cc1
InChIInChI=1S/C19H17NO3/c1-23-19(22)13-20-17(14-5-3-2-4-6-14)11-12-18(20)15-7-9-16(21)10-8-15/h2-12,21H,13H2,1H3
InChIKeyZUQGZHSCZPMRFD-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.70
Rot. Bonds4

About methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate

methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate (PubChem CID 57423685) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate
PubChem CID57423685
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate
SMILESCOC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(O)cc1
InChIInChI=1S/C19H17NO3/c1-23-19(22)13-20-17(14-5-3-2-4-6-14)11-12-18(20)15-7-9-16(21)10-8-15/h2-12,21H,13H2,1H3
InChIKeyZUQGZHSCZPMRFD-UHFFFAOYSA-N
XLogP3.70
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate (CID 57423685) is methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate is COC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(O)cc1.
What is the InChIKey of methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate?
The InChIKey is ZUQGZHSCZPMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-23-19(22)13-20-17(14-5-3-2-4-6-14)11-12-18(20)15-7-9-16(21)10-8-15/h2-12,21H,13H2,1H3.
What are the key properties of methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate?
methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate has a molecular weight of 307.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-hydroxyphenyl)-5-phenylpyrrol-1-yl]acetate is sourced from PubChem (CID 57423685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).