methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate

C14H15NO3 — CID 117054272

IUPACmethyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1OCc1ccc[nH]1
InChIInChI=1S/C14H15NO3/c1-17-14(16)9-11-5-2-3-7-13(11)18-10-12-6-4-8-15-12/h2-8,15H,9-10H2,1H3
InChIKeyRQRAMBFGHPGVDW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.31
Rot. Bonds5

About methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate

methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate (PubChem CID 117054272) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate
PubChem CID117054272
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1OCc1ccc[nH]1
InChIInChI=1S/C14H15NO3/c1-17-14(16)9-11-5-2-3-7-13(11)18-10-12-6-4-8-15-12/h2-8,15H,9-10H2,1H3
InChIKeyRQRAMBFGHPGVDW-UHFFFAOYSA-N
XLogP2.31
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-(2-octoxyphenyl)acetate
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1-[3-methoxy-2-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone
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methyl 2-(2-methylsulfonyloxyphenyl)acetate
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methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
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methyl 2-[2-[[(2S)-2-methyloxiran-2-yl]methoxy]phenyl]acetate
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methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
tert-butyl 3-[[2-(2-methoxy-2-oxoethyl)phenoxy]methyl]benzoate
CID 68667374
methyl 2-[2-(2-oxopropyl)phenyl]acetate
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2-(2-methoxyphenyl)-1-[4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepan-1-yl]ethanone
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methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate (CID 117054272) is methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate is COC(=O)Cc1ccccc1OCc1ccc[nH]1.
What is the InChIKey of methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate?
The InChIKey is RQRAMBFGHPGVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-14(16)9-11-5-2-3-7-13(11)18-10-12-6-4-8-15-12/h2-8,15H,9-10H2,1H3.
What are the key properties of methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate?
methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate has a molecular weight of 245.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate is sourced from PubChem (CID 117054272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).