2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone

C15H17NO4 — CID 43411982

IUPAC2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCOc1cc(OC)cc(OCC(=O)c2cccn2C)c1
InChIInChI=1S/C15H17NO4/c1-16-6-4-5-14(16)15(17)10-20-13-8-11(18-2)7-12(9-13)19-3/h4-9H,10H2,1-3H3
InChIKeyQURNZVBDLSAINU-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.30
Rot. Bonds6

About 2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone

2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 43411982) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID43411982
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCOc1cc(OC)cc(OCC(=O)c2cccn2C)c1
InChIInChI=1S/C15H17NO4/c1-16-6-4-5-14(16)15(17)10-20-13-8-11(18-2)7-12(9-13)19-3/h4-9H,10H2,1-3H3
InChIKeyQURNZVBDLSAINU-UHFFFAOYSA-N
XLogP2.30
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 55060707
2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624435
2-(3-acetylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60626481
4-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzonitrile
CID 31094678
1-(1-methylpyrrol-2-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624081
4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]phenyl]butan-2-one
CID 60623475
2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411926
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2642944
5-bromo-2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzonitrile
CID 80602654
2-(5-bromo-2-fluorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 115918544
2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624990
1-(1-methylpyrrol-2-yl)-2-prop-2-enoxyethanone
CID 62029483

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone (CID 43411982) is 2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone is COc1cc(OC)cc(OCC(=O)c2cccn2C)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is QURNZVBDLSAINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-16-6-4-5-14(16)15(17)10-20-13-8-11(18-2)7-12(9-13)19-3/h4-9H,10H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 275.30 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 43411982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).