ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate

C23H21NO5 — CID 11069204

IUPACethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C(=O)c2ccc(OC)cc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H21NO5/c1-3-29-21(25)15-24-14-18(22(26)17-9-11-19(28-2)12-10-17)13-20(24)23(27)16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3
InChIKeyAJSFLNZIVFGOOM-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.52
Rot. Bonds8

About ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate

ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate (PubChem CID 11069204) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate
PubChem CID11069204
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Nameethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C(=O)c2ccc(OC)cc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H21NO5/c1-3-29-21(25)15-24-14-18(22(26)17-9-11-19(28-2)12-10-17)13-20(24)23(27)16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3
InChIKeyAJSFLNZIVFGOOM-UHFFFAOYSA-N
XLogP3.52
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetic acid
CID 11132221
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate
CID 10959466
ethyl 2-(4-methoxybenzoyl)sulfanylacetate
CID 175225578
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
4-chloro-1-(2-ethoxy-2-oxoethyl)pyrrole-2-carboxylic acid
CID 114604108
ethyl 2-[7-methoxy-3-(4-methoxyphenyl)-4-oxoquinolin-1-yl]acetate
CID 18771368
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate (CID 11069204) is ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate is CCOC(=O)Cn1cc(C(=O)c2ccc(OC)cc2)cc1C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate?
The InChIKey is AJSFLNZIVFGOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-3-29-21(25)15-24-14-18(22(26)17-9-11-19(28-2)12-10-17)13-20(24)23(27)16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3.
What are the key properties of ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate?
ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate has a molecular weight of 391.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-benzoyl-4-(4-methoxybenzoyl)pyrrol-1-yl]acetate is sourced from PubChem (CID 11069204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).