2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone

C15H17NO3 — CID 43413893

IUPAC2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)c1ccn(C)c1
InChIInChI=1S/C15H17NO3/c1-11-4-5-14(15(8-11)18-3)19-10-13(17)12-6-7-16(2)9-12/h4-9H,10H2,1-3H3
InChIKeySMEXAYQJLFZDOY-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.60
Rot. Bonds5

About 2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone

2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 43413893) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID43413893
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCOc1cc(C)ccc1OCC(=O)c1ccn(C)c1
InChIInChI=1S/C15H17NO3/c1-11-4-5-14(15(8-11)18-3)19-10-13(17)12-6-7-16(2)9-12/h4-9H,10H2,1-3H3
InChIKeySMEXAYQJLFZDOY-UHFFFAOYSA-N
XLogP2.60
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412
1-(3-chlorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413925
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43413142
2-(4-bromo-2,5-dichlorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 106544771
2-(2-methyl-5-propan-2-ylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 60623581
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 55144573
2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
CID 167431129
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 79016754
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 112786507

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone (CID 43413893) is 2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone is COc1cc(C)ccc1OCC(=O)c1ccn(C)c1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is SMEXAYQJLFZDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-4-5-14(15(8-11)18-3)19-10-13(17)12-6-7-16(2)9-12/h4-9H,10H2,1-3H3.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone?
2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 259.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 43413893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).