methyl 3-(1-phenylpyrrol-2-yl)benzoate

C18H15NO2 — CID 132547671

IUPACmethyl 3-(1-phenylpyrrol-2-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cccn2-c2ccccc2)c1
InChIInChI=1S/C18H15NO2/c1-21-18(20)15-8-5-7-14(13-15)17-11-6-12-19(17)16-9-3-2-4-10-16/h2-13H,1H3
InChIKeyZNIYOYPIAHZTEC-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.93
Rot. Bonds3

About methyl 3-(1-phenylpyrrol-2-yl)benzoate

methyl 3-(1-phenylpyrrol-2-yl)benzoate (PubChem CID 132547671) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 3-(1-phenylpyrrol-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(1-phenylpyrrol-2-yl)benzoate
PubChem CID132547671
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Namemethyl 3-(1-phenylpyrrol-2-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cccn2-c2ccccc2)c1
InChIInChI=1S/C18H15NO2/c1-21-18(20)15-8-5-7-14(13-15)17-11-6-12-19(17)16-9-3-2-4-10-16/h2-13H,1H3
InChIKeyZNIYOYPIAHZTEC-UHFFFAOYSA-N
XLogP3.93
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[1-(4-methylphenyl)pyrrol-2-yl]benzoate
CID 122399826
methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172993340
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
CID 82556512
methyl 3-(2-sulfanylidene-1H-imidazol-3-yl)benzoate
CID 155977251
methyl 3-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)benzoate
CID 176705539
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-[2-(3-methoxycarbonylphenyl)-3,4-dimethylidenecyclobuten-1-yl]benzoate
CID 164887686
methyl 3-[3-(1-methylpyrazol-3-yl)phenyl]benzoate
CID 56858913
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
CID 157228504
CID 157228504

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-phenylpyrrol-2-yl)benzoate?
The IUPAC name of methyl 3-(1-phenylpyrrol-2-yl)benzoate (CID 132547671) is methyl 3-(1-phenylpyrrol-2-yl)benzoate.
What is the SMILES notation for methyl 3-(1-phenylpyrrol-2-yl)benzoate?
The canonical SMILES for methyl 3-(1-phenylpyrrol-2-yl)benzoate is COC(=O)c1cccc(-c2cccn2-c2ccccc2)c1.
What is the InChIKey of methyl 3-(1-phenylpyrrol-2-yl)benzoate?
The InChIKey is ZNIYOYPIAHZTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-21-18(20)15-8-5-7-14(13-15)17-11-6-12-19(17)16-9-3-2-4-10-16/h2-13H,1H3.
What are the key properties of methyl 3-(1-phenylpyrrol-2-yl)benzoate?
methyl 3-(1-phenylpyrrol-2-yl)benzoate has a molecular weight of 277.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-phenylpyrrol-2-yl)benzoate is sourced from PubChem (CID 132547671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).