(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol

C20H24FNO3 — CID 92817655

IUPAC(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
SMILESCOc1cccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(F)cc2)c1
InChIInChI=1S/C20H24FNO3/c1-24-19-5-2-4-15(12-19)20-6-3-11-22(20)13-17(23)14-25-18-9-7-16(21)8-10-18/h2,4-5,7-10,12,17,20,23H,3,6,11,13-14H2,1H3/t17-,20+/m1/s1
InChIKeyVJRXFUUSPSPWNO-XLIONFOSSA-N
MW345.41 g/mol
LogP3.41
Rot. Bonds7

About (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol

(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 92817655) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID92817655
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
SMILESCOc1cccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(F)cc2)c1
InChIInChI=1S/C20H24FNO3/c1-24-19-5-2-4-15(12-19)20-6-3-11-22(20)13-17(23)14-25-18-9-7-16(21)8-10-18/h2,4-5,7-10,12,17,20,23H,3,6,11,13-14H2,1H3/t17-,20+/m1/s1
InChIKeyVJRXFUUSPSPWNO-XLIONFOSSA-N
XLogP3.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78834159
(2S)-1-(4-fluorophenoxy)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95569820
(2S)-1-(2,6-dimethylphenoxy)-3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]propan-2-ol
CID 124725003
4-[4-[(2R)-3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]butan-2-one
CID 124839148
1-(4-methoxyphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 56825195
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 100843621
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720
1-[4-[(2S)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 98445782
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
N-[4-[2-hydroxy-3-(2-phenylpyrrolidin-1-yl)propoxy]phenyl]acetamide
CID 55680120
1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2770246
1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 110929763

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol (CID 92817655) is (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol is COc1cccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(F)cc2)c1.
What is the InChIKey of (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is VJRXFUUSPSPWNO-XLIONFOSSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-24-19-5-2-4-15(12-19)20-6-3-11-22(20)13-17(23)14-25-18-9-7-16(21)8-10-18/h2,4-5,7-10,12,17,20,23H,3,6,11,13-14H2,1H3/t17-,20+/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol?
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 345.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 92817655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).