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

C14H19NO4 — CID 55130764

IUPAC1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C14H19NO4/c1-10(14(17)15-8-7-11(16)9-15)19-13-5-3-12(18-2)4-6-13/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeyKASJBBJTTMTOEE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.06
Rot. Bonds4

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

1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one (PubChem CID 55130764) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
PubChem CID55130764
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C14H19NO4/c1-10(14(17)15-8-7-11(16)9-15)19-13-5-3-12(18-2)4-6-13/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeyKASJBBJTTMTOEE-UHFFFAOYSA-N
XLogP1.06
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 62916587
2-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916938
2-(4-bromophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66261639
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 95148539
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
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
2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one (CID 55130764) is 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one is COc1ccc(OC(C)C(=O)N2CCC(O)C2)cc1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one?
The InChIKey is KASJBBJTTMTOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(14(17)15-8-7-11(16)9-15)19-13-5-3-12(18-2)4-6-13/h3-6,10-11,16H,7-9H2,1-2H3.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one?
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one has a molecular weight of 265.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one is sourced from PubChem (CID 55130764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).