ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate

C22H23NO3 — CID 141039503

IUPACethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate
SMILESCCOC(=O)C(C)c1cn(Cc2ccc(O)cc2)cc1-c1ccccc1
InChIInChI=1S/C22H23NO3/c1-3-26-22(25)16(2)20-14-23(13-17-9-11-19(24)12-10-17)15-21(20)18-7-5-4-6-8-18/h4-12,14-16,24H,3,13H2,1-2H3
InChIKeyQQTGABPLQLQBOV-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.58
Rot. Bonds6

About ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate

ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate (PubChem CID 141039503) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate
PubChem CID141039503
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Nameethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate
SMILESCCOC(=O)C(C)c1cn(Cc2ccc(O)cc2)cc1-c1ccccc1
InChIInChI=1S/C22H23NO3/c1-3-26-22(25)16(2)20-14-23(13-17-9-11-19(24)12-10-17)15-21(20)18-7-5-4-6-8-18/h4-12,14-16,24H,3,13H2,1-2H3
InChIKeyQQTGABPLQLQBOV-UHFFFAOYSA-N
XLogP4.58
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-2-(4-methoxyphenyl)-4-phenylpyrrole-3-carboxylic acid
CID 4271843
Neolamellarin A
CID 24179369
2-(4-Methoxyphenyl)-1-methyl-4-phenylpyrrole-3-carboxylic acid
CID 3730701
Ethyl 1-benzyl-4-(4-methoxyphenyl)pyrrole-3-carboxylate
CID 470446
4-[1-Benzyl-4-(4-hydroxyphenyl)pyrrol-3-yl]phenol
CID 137631413
[3,4-Bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone
CID 155538054
1-[3,4-Bis(4-hydroxyphenyl)pyrrol-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 155551270
[3,4-Bis(4-hydroxyphenyl)pyrrol-1-yl]-(4-hydroxyphenyl)methanone
CID 155558750
lamellarin R
CID 163140684
1-[(2Z)-2-ethoxyimino-2-(3-hydroxyphenyl)ethyl]-4-[(4-fluorophenyl)methyl]pyrrole-3-carboxylic acid
CID 25145797
3,3,3-Trifluoro-2-(4-hydroxy-benzyl)-2-pyrrol-1-yl-propionic acid ethyl ester
CID 59096760
1-O-butyl 5-O-(2,2,2-trifluoroethyl) 2-[2-[2,5-dihydroxy-1-[2-(4-hydroxyphenyl)ethyl]-4-methylpyrrol-3-yl]-2-(4-hydroxyphenyl)ethyl]-4-ethylpentanedioate
CID 91283408

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate?
The IUPAC name of ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate (CID 141039503) is ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate.
What is the SMILES notation for ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate?
The canonical SMILES for ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate is CCOC(=O)C(C)c1cn(Cc2ccc(O)cc2)cc1-c1ccccc1.
What is the InChIKey of ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate?
The InChIKey is QQTGABPLQLQBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-3-26-22(25)16(2)20-14-23(13-17-9-11-19(24)12-10-17)15-21(20)18-7-5-4-6-8-18/h4-12,14-16,24H,3,13H2,1-2H3.
What are the key properties of ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate?
ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate has a molecular weight of 349.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(4-hydroxyphenyl)methyl]-4-phenylpyrrol-3-yl]propanoate is sourced from PubChem (CID 141039503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).