1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone

C15H21NO3 — CID 67557072

IUPAC1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC(C(C)O)C2CCNC2)cc1
InChIInChI=1S/C15H21NO3/c1-10(17)12-3-5-14(6-4-12)19-15(11(2)18)13-7-8-16-9-13/h3-6,11,13,15-16,18H,7-9H2,1-2H3
InChIKeyZWZNHWYASKNVMY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.63
Rot. Bonds5

About 1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone

1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone (PubChem CID 67557072) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone
PubChem CID67557072
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC(C(C)O)C2CCNC2)cc1
InChIInChI=1S/C15H21NO3/c1-10(17)12-3-5-14(6-4-12)19-15(11(2)18)13-7-8-16-9-13/h3-6,11,13,15-16,18H,7-9H2,1-2H3
InChIKeyZWZNHWYASKNVMY-UHFFFAOYSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[fluoro(pyrrolidin-3-yl)methyl]phenyl]ethanone
CID 115032643
(3S)-3-[(1S)-1-(4-chlorophenoxy)-2-methylpropyl]pyrrolidine;hydrochloride
CID 56602587
4-(difluoromethoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977231
4-(4-fluorophenoxy)-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 167775279
3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
CID 66848319
1-[4-(1-chloroethoxy)phenyl]ethanone
CID 21282318
3-(1-naphthalen-2-yloxyethyl)pyrrolidine
CID 59544011
1-(4-aminophenyl)-2-pyrrolidin-3-ylpropan-1-one
CID 140980834
(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine
CID 66854507
4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977142
1-(4-nitrophenyl)-2-pyrrolidin-3-ylpropan-1-one
CID 140980833
4-(2-methyl-1-piperidin-3-ylpropoxy)benzonitrile
CID 68968804

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone (CID 67557072) is 1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone is CC(=O)c1ccc(OC(C(C)O)C2CCNC2)cc1.
What is the InChIKey of 1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone?
The InChIKey is ZWZNHWYASKNVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(17)12-3-5-14(6-4-12)19-15(11(2)18)13-7-8-16-9-13/h3-6,11,13,15-16,18H,7-9H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone?
1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone is sourced from PubChem (CID 67557072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).