[4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone

C21H15NO2S — CID 122384316

IUPAC[4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1c[nH]cc1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H15NO2S/c23-21(20-10-5-11-25-20)19-14-22-13-18(19)15-6-4-9-17(12-15)24-16-7-2-1-3-8-16/h1-14,22H
InChIKeyQGDVKIGVJKRTEA-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.77
Rot. Bonds5

About [4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone

[4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone (PubChem CID 122384316) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is [4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone
PubChem CID122384316
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC Name[4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1c[nH]cc1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H15NO2S/c23-21(20-10-5-11-25-20)19-14-22-13-18(19)15-6-4-9-17(12-15)24-16-7-2-1-3-8-16/h1-14,22H
InChIKeyQGDVKIGVJKRTEA-UHFFFAOYSA-N
XLogP5.77
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-phenoxyphenyl)-thiophen-2-ylmethanone
CID 82051105
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
(4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone
CID 90646653
diphenyl-[4-[4-(thiophene-2-carbonyl)phenoxy]phenyl]sulfanium
CID 140948266
(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone
CID 134835171
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
3-(3-phenoxyphenyl)furan-2-carbohydrazide
CID 68862343
phenyl thiophene-2-carboperoxoate
CID 91186228
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
CID 965825
(Z)-3-[4-(3,4-dimethylphenoxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20992525
1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 62652088

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone (CID 122384316) is [4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1c[nH]cc1-c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone?
The InChIKey is QGDVKIGVJKRTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S/c23-21(20-10-5-11-25-20)19-14-22-13-18(19)15-6-4-9-17(12-15)24-16-7-2-1-3-8-16/h1-14,22H.
What are the key properties of [4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone?
[4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone has a molecular weight of 345.42 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenoxyphenyl)-1H-pyrrol-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 122384316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).