1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone

C13H13NO2 — CID 117051929

IUPAC1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2ccc[nH]2)c1
InChIInChI=1S/C13H13NO2/c1-10(15)11-4-2-6-13(8-11)16-9-12-5-3-7-14-12/h2-8,14H,9H2,1H3
InChIKeyAOXOFYIGKDDXPZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.80
Rot. Bonds4

About 1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone

1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone (PubChem CID 117051929) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone
PubChem CID117051929
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2ccc[nH]2)c1
InChIInChI=1S/C13H13NO2/c1-10(15)11-4-2-6-13(8-11)16-9-12-5-3-7-14-12/h2-8,14H,9H2,1H3
InChIKeyAOXOFYIGKDDXPZ-UHFFFAOYSA-N
XLogP2.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
2-[4-[(3-acetylphenoxy)methyl]phenyl]acetic acid
CID 105344808
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
1-[3-[[4-(dimethylamino)phenyl]methoxy]phenyl]ethanone
CID 39205554
2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone
CID 144853014
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
1-[3-(2-ethylsulfanylethoxy)phenyl]ethanone
CID 115881899
1-(3-hydroperoxyphenyl)ethanone
CID 21289599

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone (CID 117051929) is 1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone is CC(=O)c1cccc(OCc2ccc[nH]2)c1.
What is the InChIKey of 1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone?
The InChIKey is AOXOFYIGKDDXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10(15)11-4-2-6-13(8-11)16-9-12-5-3-7-14-12/h2-8,14H,9H2,1H3.
What are the key properties of 1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone?
1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone has a molecular weight of 215.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrrol-2-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 117051929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).