2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone

C14H14BrNO2 — CID 82826756

IUPAC2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)COCc2cccc(Br)c2)c1
InChIInChI=1S/C14H14BrNO2/c1-16-6-5-12(8-16)14(17)10-18-9-11-3-2-4-13(15)7-11/h2-8H,9-10H2,1H3
InChIKeyMFVTVKWIYCYOSE-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.19
Rot. Bonds5

About 2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone

2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 82826756) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID82826756
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)COCc2cccc(Br)c2)c1
InChIInChI=1S/C14H14BrNO2/c1-16-6-5-12(8-16)14(17)10-18-9-11-3-2-4-13(15)7-11/h2-8H,9-10H2,1H3
InChIKeyMFVTVKWIYCYOSE-UHFFFAOYSA-N
XLogP3.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 82810406
2-[(2-chlorophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone
CID 62029649
2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone
CID 82808702
1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126287
2-[(3-bromophenyl)methoxy]-1-cyclopropylethanone
CID 82826992
2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 82809087
2-[(3-bromophenyl)methoxy]ethanethioamide
CID 82827061
2-[(3-bromophenyl)methoxy]-1-cyclopentylethanone
CID 104752197
1-[(3-bromophenyl)methoxy]-2,2,4,4-tetramethylpentan-3-one
CID 101476488
1-(1-methylpyrrol-3-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 60624588
3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one
CID 95456132

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone (CID 82826756) is 2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone is Cn1ccc(C(=O)COCc2cccc(Br)c2)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is MFVTVKWIYCYOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-16-6-5-12(8-16)14(17)10-18-9-11-3-2-4-13(15)7-11/h2-8H,9-10H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone?
2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 308.18 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 82826756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).