(1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C20H19NO4 — CID 118708617

IUPAC(1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccn(-c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4/c1-23-17-11-15(12-18(24-2)20(17)25-3)19(22)14-9-10-21(13-14)16-7-5-4-6-8-16/h4-13H,1-3H3
InChIKeyFFGBBUFSYUQLCM-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.73
Rot. Bonds6

About (1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 118708617) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID118708617
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccn(-c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4/c1-23-17-11-15(12-18(24-2)20(17)25-3)19(22)14-9-10-21(13-14)16-7-5-4-6-8-16/h4-13H,1-3H3
InChIKeyFFGBBUFSYUQLCM-UHFFFAOYSA-N
XLogP3.73
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 118708617) is (1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ccn(-c3ccccc3)c2)cc(OC)c1OC.
What is the InChIKey of (1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FFGBBUFSYUQLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-17-11-15(12-18(24-2)20(17)25-3)19(22)14-9-10-21(13-14)16-7-5-4-6-8-16/h4-13H,1-3H3.
What are the key properties of (1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 337.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrrol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 118708617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).