1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone

C16H23NO3 — CID 64596974

IUPAC1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
SMILESCOCC1CCN(Cc2cc(C(C)=O)ccc2OC)C1
InChIInChI=1S/C16H23NO3/c1-12(18)14-4-5-16(20-3)15(8-14)10-17-7-6-13(9-17)11-19-2/h4-5,8,13H,6-7,9-11H2,1-3H3
InChIKeyGVZJAAHSNRNTMW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.37
Rot. Bonds6

About 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone

1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone (PubChem CID 64596974) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
PubChem CID64596974
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
SMILESCOCC1CCN(Cc2cc(C(C)=O)ccc2OC)C1
InChIInChI=1S/C16H23NO3/c1-12(18)14-4-5-16(20-3)15(8-14)10-17-7-6-13(9-17)11-19-2/h4-5,8,13H,6-7,9-11H2,1-3H3
InChIKeyGVZJAAHSNRNTMW-UHFFFAOYSA-N
XLogP2.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
CID 64597058
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 43226156
1-[3-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 63899709
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597987

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone (CID 64596974) is 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone is COCC1CCN(Cc2cc(C(C)=O)ccc2OC)C1.
What is the InChIKey of 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone?
The InChIKey is GVZJAAHSNRNTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)14-4-5-16(20-3)15(8-14)10-17-7-6-13(9-17)11-19-2/h4-5,8,13H,6-7,9-11H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone?
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 64596974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).