ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate

C25H23NO3 — CID 146168617

IUPACethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(Cc2ccccc2)c1-c1c(OC)ccc2ccccc12
InChIInChI=1S/C25H23NO3/c1-3-29-25(27)24-22(19(16-26-24)15-17-9-5-4-6-10-17)23-20-12-8-7-11-18(20)13-14-21(23)28-2/h4-14,16,26H,3,15H2,1-2H3
InChIKeyOUKYBGUIFDMEFZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.61
Rot. Bonds6

About ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate

ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate (PubChem CID 146168617) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate
PubChem CID146168617
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Nameethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(Cc2ccccc2)c1-c1c(OC)ccc2ccccc12
InChIInChI=1S/C25H23NO3/c1-3-29-25(27)24-22(19(16-26-24)15-17-9-5-4-6-10-17)23-20-12-8-7-11-18(20)13-14-21(23)28-2/h4-14,16,26H,3,15H2,1-2H3
InChIKeyOUKYBGUIFDMEFZ-UHFFFAOYSA-N
XLogP5.61
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-methoxynaphthalen-1-yl)-5-methyl-1,2-oxazole-4-carboxylate
CID 102309206
ethyl 4-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 43826349
ethyl 4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331754
ethyl 3-amino-4-[(2-phenylmethoxyphenyl)methyl]-1H-pyrrole-2-carboxylate
CID 59794315
ethyl 2H-phenanthro[9,10-c]pyrrole-3-carboxylate
CID 15639090
ethyl 4-[(3-benzyl-4-methoxyphenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 24533184
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate
CID 69031566
ethyl 3-(2-chloro-4-methoxyphenyl)-4-ethyl-1H-pyrrole-2-carboxylate
CID 155906970
2-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980416
ethyl 4-benzyl-6-ethyl-3-hydroxypyridine-2-carboxylate
CID 132962109
ethyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331756

Frequently Asked Questions

What is the IUPAC name of ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate (CID 146168617) is ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(Cc2ccccc2)c1-c1c(OC)ccc2ccccc12.
What is the InChIKey of ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is OUKYBGUIFDMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-3-29-25(27)24-22(19(16-26-24)15-17-9-5-4-6-10-17)23-20-12-8-7-11-18(20)13-14-21(23)28-2/h4-14,16,26H,3,15H2,1-2H3.
What are the key properties of ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate?
ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-benzyl-3-(2-methoxynaphthalen-1-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 146168617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).