ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate

C15H17NO4 — CID 91665556

IUPACethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c[nH]cc1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H17NO4/c1-4-20-15(17)14-9-16-8-13(14)10-5-11(18-2)7-12(6-10)19-3/h5-9,16H,4H2,1-3H3
InChIKeyBOIXHIWOWYJLPC-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.88
Rot. Bonds5

About ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate

ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate (PubChem CID 91665556) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate
PubChem CID91665556
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c[nH]cc1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H17NO4/c1-4-20-15(17)14-9-16-8-13(14)10-5-11(18-2)7-12(6-10)19-3/h5-9,16H,4H2,1-3H3
InChIKeyBOIXHIWOWYJLPC-UHFFFAOYSA-N
XLogP2.88
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-(3,5-dimethoxyphenyl)quinoxaline-5-carboxylate
CID 66914690
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 4-methyl-1H-pyrrole-3-carboxylate;methyl 4-methyl-1H-pyrrole-3-carboxylate
CID 70398310
ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 23282732
ethyl 2,3-dichloro-5-methoxybenzoate
CID 171006431
ethyl 5-(4-fluorophenyl)-4-oxo-1H-pyridine-3-carboxylate
CID 66771917
ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 824655
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
ethyl 2-ethyl-5-methoxy-1H-pyrrole-3-carboxylate
CID 86257631

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate (CID 91665556) is ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate is CCOC(=O)c1c[nH]cc1-c1cc(OC)cc(OC)c1.
What is the InChIKey of ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate?
The InChIKey is BOIXHIWOWYJLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-20-15(17)14-9-16-8-13(14)10-5-11(18-2)7-12(6-10)19-3/h5-9,16H,4H2,1-3H3.
What are the key properties of ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate?
ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 91665556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).