[1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H19NO5 — CID 118708649

IUPAC[1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccn(-c3cccc(O)c3)c2)cc(OC)c1OC
InChIInChI=1S/C20H19NO5/c1-24-17-9-14(10-18(25-2)20(17)26-3)19(23)13-7-8-21(12-13)15-5-4-6-16(22)11-15/h4-12,22H,1-3H3
InChIKeyVLZRYRODCBIRIZ-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.44
Rot. Bonds6

About [1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 118708649) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID118708649
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccn(-c3cccc(O)c3)c2)cc(OC)c1OC
InChIInChI=1S/C20H19NO5/c1-24-17-9-14(10-18(25-2)20(17)26-3)19(23)13-7-8-21(12-13)15-5-4-6-16(22)11-15/h4-12,22H,1-3H3
InChIKeyVLZRYRODCBIRIZ-UHFFFAOYSA-N
XLogP3.44
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bpr-0L075
CID 10359957
(7-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 25211155
(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10449104
(4-hydroxy-3,5-dimethoxyphenyl)(6-methoxy-1H-indol-3-yl)methanone
CID 11645570
(1-methyl-1H-indol-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 17756418
(5-hydroxy-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44578660
(6-ethoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11291211
[6-(3-Hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 156583241
(7-iodo-6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 16110549
[1-(3-Aminophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 102340756
[6-Methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 10071452
[6-Methoxy-1-(2-piperidin-1-ylethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 10343852

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 118708649) is [1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccn(-c3cccc(O)c3)c2)cc(OC)c1OC.
What is the InChIKey of [1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is VLZRYRODCBIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-24-17-9-14(10-18(25-2)20(17)26-3)19(23)13-7-8-21(12-13)15-5-4-6-16(22)11-15/h4-12,22H,1-3H3.
What are the key properties of [1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 353.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 118708649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).