methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate

C16H17NO5 — CID 141364318

IUPACmethyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1/C=C/c1c[nH]c(OC)c1
InChIInChI=1S/C16H17NO5/c1-20-12-7-11(15(13(18)8-12)16(19)22-3)5-4-10-6-14(21-2)17-9-10/h4-9,17-18H,1-3H3/b5-4+
InChIKeyGZMIZIMECXUEDT-SNAWJCMRSA-N
MW303.31 g/mol
LogP2.69
Rot. Bonds5

About methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate

methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate (PubChem CID 141364318) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate
PubChem CID141364318
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namemethyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate
SMILESCOC(=O)c1c(O)cc(OC)cc1/C=C/c1c[nH]c(OC)c1
InChIInChI=1S/C16H17NO5/c1-20-12-7-11(15(13(18)8-12)16(19)22-3)5-4-10-6-14(21-2)17-9-10/h4-9,17-18H,1-3H3/b5-4+
InChIKeyGZMIZIMECXUEDT-SNAWJCMRSA-N
XLogP2.69
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate?
The IUPAC name of methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate (CID 141364318) is methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate is COC(=O)c1c(O)cc(OC)cc1/C=C/c1c[nH]c(OC)c1.
What is the InChIKey of methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate?
The InChIKey is GZMIZIMECXUEDT-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H17NO5/c1-20-12-7-11(15(13(18)8-12)16(19)22-3)5-4-10-6-14(21-2)17-9-10/h4-9,17-18H,1-3H3/b5-4+.
What are the key properties of methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate?
methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate has a molecular weight of 303.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxy-6-[(E)-2-(5-methoxy-1H-pyrrol-3-yl)ethenyl]benzoate is sourced from PubChem (CID 141364318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).