methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate

C19H17NO3 — CID 10946734

IUPACmethyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1-c1ccccc1
InChIInChI=1S/C19H17NO3/c1-22-15-10-8-13(9-11-15)16-12-20-18(19(21)23-2)17(16)14-6-4-3-5-7-14/h3-12,20H,1-2H3
InChIKeyBVJPBTCXKVCEJM-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.14
Rot. Bonds4

About methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate

methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate (PubChem CID 10946734) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate
PubChem CID10946734
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1-c1ccccc1
InChIInChI=1S/C19H17NO3/c1-22-15-10-8-13(9-11-15)16-12-20-18(19(21)23-2)17(16)14-6-4-3-5-7-14/h3-12,20H,1-2H3
InChIKeyBVJPBTCXKVCEJM-UHFFFAOYSA-N
XLogP4.14
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)-1H-pyrrole-2-carboxylate
CID 142934692
methyl 3-acetamido-4-phenyl-1H-pyrrole-2-carboxylate
CID 95915732
methyl 3-(dimethylamino)-4-phenyl-1H-pyrrole-2-carboxylate
CID 14987955
ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331754
2-bromo-1-(4-methoxyphenyl)ethanone;methyl 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate;methyl 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
CID 159880119
2-(3,4-diphenyl-1H-pyrrol-2-yl)-2-oxoacetic acid
CID 175943439
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436
methyl 3-(4-methoxyphenyl)-1H-indole-6-carboxylate
CID 15428719
2-bromo-1-(4-methoxyphenyl)ethanone;methyl 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate;methyl 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate;methyl 3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrole-2-carboxylate
CID 158370902
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
methyl 3-(3-hydroxy-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 102062888
methyl 5-amino-3-(4-methoxyphenyl)-4-pyridin-1-ium-1-yl-1H-pyrrole-2-carboxylate
CID 156579977

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate (CID 10946734) is methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1-c1ccccc1.
What is the InChIKey of methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate?
The InChIKey is BVJPBTCXKVCEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-15-10-8-13(9-11-15)16-12-20-18(19(21)23-2)17(16)14-6-4-3-5-7-14/h3-12,20H,1-2H3.
What are the key properties of methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate?
methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxyphenyl)-3-phenyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 10946734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).