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

C21H21NO5 — CID 118708645

IUPAC[1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-n2ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C21H21NO5/c1-24-17-7-5-16(6-8-17)22-10-9-14(13-22)20(23)15-11-18(25-2)21(27-4)19(12-15)26-3/h5-13H,1-4H3
InChIKeyCAKJYFONPZWJQO-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.74
Rot. Bonds7

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

[1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 118708645) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID118708645
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name[1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-n2ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1
InChIInChI=1S/C21H21NO5/c1-24-17-7-5-16(6-8-17)22-10-9-14(13-22)20(23)15-11-18(25-2)21(27-4)19(12-15)26-3/h5-13H,1-4H3
InChIKeyCAKJYFONPZWJQO-UHFFFAOYSA-N
XLogP3.74
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708621
[1-(3-phenylmethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708647
[1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90676661
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155522430
2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 141327397
[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980
(6-methoxyindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11233132
(6-methoxy-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226723
[2-amino-5-[2-(4-methoxyphenyl)ethyl]thiophen-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 54587503
[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357621
[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155550802

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 118708645) is [1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-n2ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CAKJYFONPZWJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-24-17-7-5-16(6-8-17)22-10-9-14(13-22)20(23)15-11-18(25-2)21(27-4)19(12-15)26-3/h5-13H,1-4H3.
What are the key properties of [1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 367.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 118708645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).