2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone

C20H23NO3 — CID 71313895

IUPAC2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
SMILESCOc1cc(CC(=O)N2CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-23-19-13-17(14-20(22)21-11-5-6-12-21)9-10-18(19)24-15-16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3
InChIKeyZIYHPNRTEGTFHK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.44
Rot. Bonds6

About 2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone

2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 71313895) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
PubChem CID71313895
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
SMILESCOc1cc(CC(=O)N2CCCC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-23-19-13-17(14-20(22)21-11-5-6-12-21)9-10-18(19)24-15-16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3
InChIKeyZIYHPNRTEGTFHK-UHFFFAOYSA-N
XLogP3.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-1-yl)-2-(3-bromo-4-phenylmethoxyphenyl)ethanone
CID 155798182
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
2-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxy-1-piperidin-1-ylethanone
CID 7669475
azepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methanethione
CID 7369964
azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 2933537
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110805950
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 108544494
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-(3-methoxy-4-phenylmethoxyphenyl)piperidin-2-one
CID 86198598

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone (CID 71313895) is 2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone is COc1cc(CC(=O)N2CCCC2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is ZIYHPNRTEGTFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-19-13-17(14-20(22)21-11-5-6-12-21)9-10-18(19)24-15-16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3.
What are the key properties of 2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone?
2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 325.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 71313895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).