methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate

C15H17NO5 — CID 102453349

IUPACmethyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(OC)c(OC)c(OC)c2)[nH]1
InChIInChI=1S/C15H17NO5/c1-18-12-7-9(8-13(19-2)14(12)20-3)10-5-6-11(16-10)15(17)21-4/h5-8,16H,1-4H3
InChIKeyULOUPYDUYZBOIN-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.49
Rot. Bonds5

About methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate

methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate (PubChem CID 102453349) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
PubChem CID102453349
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(OC)c(OC)c(OC)c2)[nH]1
InChIInChI=1S/C15H17NO5/c1-18-12-7-9(8-13(19-2)14(12)20-3)10-5-6-11(16-10)15(17)21-4/h5-8,16H,1-4H3
InChIKeyULOUPYDUYZBOIN-UHFFFAOYSA-N
XLogP2.49
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-3-diphenylboranyloxy-1,3-bis[5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2-yl]prop-2-en-1-one
CID 102196594
2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 82086470
methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate
CID 142749790
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 7-bromo-4-methoxy-1H-indole-2-carboxylate
CID 7141912
methyl 4-bromo-6,7-dimethoxy-1H-indole-2-carboxylate
CID 7144594
methyl 5-(2-aminophenyl)-1H-pyrrole-2-carboxylate
CID 117222306
methyl 5-(2-bromophenyl)-1H-pyrrole-2-carboxylate
CID 117222354
methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate
CID 19861876
methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 45029264
methyl 5-fluoro-1H-pyrrole-2-carboxylate
CID 118498377
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate (CID 102453349) is methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(-c2cc(OC)c(OC)c(OC)c2)[nH]1.
What is the InChIKey of methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
The InChIKey is ULOUPYDUYZBOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-18-12-7-9(8-13(19-2)14(12)20-3)10-5-6-11(16-10)15(17)21-4/h5-8,16H,1-4H3.
What are the key properties of methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate?
methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 102453349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).