1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

C16H25NO2 — CID 3488317

IUPAC1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)c1ccccc1OCC(O)CN1CCCC1
InChIInChI=1S/C16H25NO2/c1-13(2)15-7-3-4-8-16(15)19-12-14(18)11-17-9-5-6-10-17/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3
InChIKeyRVDKJWPICJKRAQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.65
Rot. Bonds6

About 1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol

1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 3488317) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID3488317
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)c1ccccc1OCC(O)CN1CCCC1
InChIInChI=1S/C16H25NO2/c1-13(2)15-7-3-4-8-16(15)19-12-14(18)11-17-9-5-6-10-17/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3
InChIKeyRVDKJWPICJKRAQ-UHFFFAOYSA-N
XLogP2.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898544
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4877000
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 110898165
cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone
CID 2535934
(3R)-1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide
CID 25351484
(2S)-1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 124738429
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4880725
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxylate
CID 51680135
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 3488317) is 1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is CC(C)c1ccccc1OCC(O)CN1CCCC1.
What is the InChIKey of 1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is RVDKJWPICJKRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)15-7-3-4-8-16(15)19-12-14(18)11-17-9-5-6-10-17/h3-4,7-8,13-14,18H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 3488317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).