ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate

C22H21NO5 — CID 10547731

IUPACethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)c(C(=O)c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C22H21NO5/c1-4-28-22(25)19-13-18(14-5-9-16(26-2)10-6-14)20(23-19)21(24)15-7-11-17(27-3)12-8-15/h5-13,23H,4H2,1-3H3
InChIKeyIAMNNGKVIYMPPO-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.11
Rot. Bonds7

About ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate

ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate (PubChem CID 10547731) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
PubChem CID10547731
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Nameethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)c(C(=O)c2ccc(OC)cc2)[nH]1
InChIInChI=1S/C22H21NO5/c1-4-28-22(25)19-13-18(14-5-9-16(26-2)10-6-14)20(23-19)21(24)15-7-11-17(27-3)12-8-15/h5-13,23H,4H2,1-3H3
InChIKeyIAMNNGKVIYMPPO-UHFFFAOYSA-N
XLogP4.11
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate (CID 10547731) is ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2)c(C(=O)c2ccc(OC)cc2)[nH]1.
What is the InChIKey of ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate?
The InChIKey is IAMNNGKVIYMPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-4-28-22(25)19-13-18(14-5-9-16(26-2)10-6-14)20(23-19)21(24)15-7-11-17(27-3)12-8-15/h5-13,23H,4H2,1-3H3.
What are the key properties of ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate?
ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 10547731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).