1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol

C20H33NO2 — CID 82074289

IUPAC1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCCOc1ccc(C(C)(C)C)cc1C(O)CCN1CCCC1
InChIInChI=1S/C20H33NO2/c1-5-14-23-19-9-8-16(20(2,3)4)15-17(19)18(22)10-13-21-11-6-7-12-21/h8-9,15,18,22H,5-7,10-14H2,1-4H3
InChIKeyHUVPJXFRKOERON-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.29
Rot. Bonds7

About 1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol

1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 82074289) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID82074289
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCCCOc1ccc(C(C)(C)C)cc1C(O)CCN1CCCC1
InChIInChI=1S/C20H33NO2/c1-5-14-23-19-9-8-16(20(2,3)4)15-17(19)18(22)10-13-21-11-6-7-12-21/h8-9,15,18,22H,5-7,10-14H2,1-4H3
InChIKeyHUVPJXFRKOERON-UHFFFAOYSA-N
XLogP4.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
CID 82264401
1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82135922
3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol
CID 82105545
1-(5-tert-butyl-2-octoxyphenyl)propan-1-ol
CID 141201801
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-propoxybenzene
CID 83935565
4-tert-butyl-2-[(Z)-non-6-en-4-yl]-1-propoxybenzene
CID 83935649
4-tert-butyl-2-(3-methylhex-4-yn-2-yl)-1-propoxybenzene
CID 83935637
1-[3-(4-tert-butyl-2-methylphenoxy)propyl]piperidine;oxalic acid
CID 2923350
5-amino-2-(5-tert-butyl-2-propoxyphenyl)heptan-4-ol
CID 83935661
1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 82074289) is 1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol is CCCOc1ccc(C(C)(C)C)cc1C(O)CCN1CCCC1.
What is the InChIKey of 1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is HUVPJXFRKOERON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-5-14-23-19-9-8-16(20(2,3)4)15-17(19)18(22)10-13-21-11-6-7-12-21/h8-9,15,18,22H,5-7,10-14H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 319.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 82074289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).