methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate

C16H19NO3 — CID 117222899

IUPACmethyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC)c2)cn1C(C)C
InChIInChI=1S/C16H19NO3/c1-11(2)17-10-13(9-15(17)16(18)20-4)12-6-5-7-14(8-12)19-3/h5-11H,1-4H3
InChIKeyBYIHGJUHTAGUTP-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.53
Rot. Bonds4

About methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate

methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate (PubChem CID 117222899) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
PubChem CID117222899
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(OC)c2)cn1C(C)C
InChIInChI=1S/C16H19NO3/c1-11(2)17-10-13(9-15(17)16(18)20-4)12-6-5-7-14(8-12)19-3/h5-11H,1-4H3
InChIKeyBYIHGJUHTAGUTP-UHFFFAOYSA-N
XLogP3.53
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222880
methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate
CID 117222897
methyl 5-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222769
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
[4-(3-aminophenyl)-1-propan-2-ylpyrrol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171779578
methyl 4-(3-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 56712674
3-(ethylaminomethyl)-6-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518544
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953608
3-amino-4-(3-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 139946734
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate (CID 117222899) is methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate is COC(=O)c1cc(-c2cccc(OC)c2)cn1C(C)C.
What is the InChIKey of methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate?
The InChIKey is BYIHGJUHTAGUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(2)17-10-13(9-15(17)16(18)20-4)12-6-5-7-14(8-12)19-3/h5-11H,1-4H3.
What are the key properties of methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate?
methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxylate is sourced from PubChem (CID 117222899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).