3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol

C17H27NO3 — CID 117237826

IUPAC3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
SMILESCOc1ccccc1OCC(CO)C1CCN(C(C)C)C1
InChIInChI=1S/C17H27NO3/c1-13(2)18-9-8-14(10-18)15(11-19)12-21-17-7-5-4-6-16(17)20-3/h4-7,13-15,19H,8-12H2,1-3H3
InChIKeyXGVKSQIHLZQAKD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.41
Rot. Bonds7

About 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol

3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol (PubChem CID 117237826) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
PubChem CID117237826
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
SMILESCOc1ccccc1OCC(CO)C1CCN(C(C)C)C1
InChIInChI=1S/C17H27NO3/c1-13(2)18-9-8-14(10-18)15(11-19)12-21-17-7-5-4-6-16(17)20-3/h4-7,13-15,19H,8-12H2,1-3H3
InChIKeyXGVKSQIHLZQAKD-UHFFFAOYSA-N
XLogP2.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid
CID 117238314
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237898
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239350
2-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237325
2-[3-hydroxy-2-(1-methylpyrrolidin-3-yl)propoxy]phenol
CID 117237799
1-(1-ethylpiperidin-4-yl)-2-(2-methoxyphenoxy)ethanol
CID 117238772
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
3-(2-chlorophenoxy)-2-(1-ethylpiperidin-4-yl)propan-1-ol
CID 117239259
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
2-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-1-ol
CID 117239219
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
The IUPAC name of 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol (CID 117237826) is 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
The canonical SMILES for 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol is COc1ccccc1OCC(CO)C1CCN(C(C)C)C1.
What is the InChIKey of 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
The InChIKey is XGVKSQIHLZQAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)18-9-8-14(10-18)15(11-19)12-21-17-7-5-4-6-16(17)20-3/h4-7,13-15,19H,8-12H2,1-3H3.
What are the key properties of 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol is sourced from PubChem (CID 117237826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).