1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol

C17H27NO3 — CID 78834159

IUPAC1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCOc1cccc(C2CCCN2CC(O)COC(C)C)c1
InChIInChI=1S/C17H27NO3/c1-13(2)21-12-15(19)11-18-9-5-8-17(18)14-6-4-7-16(10-14)20-3/h4,6-7,10,13,15,17,19H,5,8-9,11-12H2,1-3H3
InChIKeyHBLUQIBUADTAPN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.62
Rot. Bonds7

About 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 78834159) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID78834159
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCOc1cccc(C2CCCN2CC(O)COC(C)C)c1
InChIInChI=1S/C17H27NO3/c1-13(2)21-12-15(19)11-18-9-5-8-17(18)14-6-4-7-16(10-14)20-3/h4,6-7,10,13,15,17,19H,5,8-9,11-12H2,1-3H3
InChIKeyHBLUQIBUADTAPN-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
CID 92817655
1-[2-(4-methoxyphenyl)azepan-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78827409
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
1-(4-methoxyphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 56825195
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 78834159) is 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol is COc1cccc(C2CCCN2CC(O)COC(C)C)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is HBLUQIBUADTAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)21-12-15(19)11-18-9-5-8-17(18)14-6-4-7-16(10-14)20-3/h4,6-7,10,13,15,17,19H,5,8-9,11-12H2,1-3H3.
What are the key properties of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 78834159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).