1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one

C14H19NO3 — CID 62916587

IUPAC1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-10-3-5-13(6-4-10)18-11(2)14(17)15-8-7-12(16)9-15/h3-6,11-12,16H,7-9H2,1-2H3
InChIKeyMJOKBXNXENDSGL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.36
Rot. Bonds3

About 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one

1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one (PubChem CID 62916587) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
PubChem CID62916587
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C14H19NO3/c1-10-3-5-13(6-4-10)18-11(2)14(17)15-8-7-12(16)9-15/h3-6,11-12,16H,7-9H2,1-2H3
InChIKeyMJOKBXNXENDSGL-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 55130764
2-(4-bromophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66261639
2-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916938
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 115966356
2-(4-methylphenoxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3876890
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
(2S)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 94596120
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391848
2-(4-bromophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 63106235
1-(4-hydroxypiperidin-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 110895183

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one (CID 62916587) is 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one is Cc1ccc(OC(C)C(=O)N2CCC(O)C2)cc1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one?
The InChIKey is MJOKBXNXENDSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-3-5-13(6-4-10)18-11(2)14(17)15-8-7-12(16)9-15/h3-6,11-12,16H,7-9H2,1-2H3.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one?
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one is sourced from PubChem (CID 62916587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).