(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol

C13H18FNO2 — CID 94264435

IUPAC(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESCOc1ccc([C@H](O)CN2CCCC2)cc1F
InChIInChI=1S/C13H18FNO2/c1-17-13-5-4-10(8-11(13)14)12(16)9-15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3/t12-/m1/s1
InChIKeyVJANEVYGYANZFK-GFCCVEGCSA-N
MW239.29 g/mol
LogP1.96
Rot. Bonds4

About (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol

(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 94264435) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
PubChem CID94264435
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
SMILESCOc1ccc([C@H](O)CN2CCCC2)cc1F
InChIInChI=1S/C13H18FNO2/c1-17-13-5-4-10(8-11(13)14)12(16)9-15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3/t12-/m1/s1
InChIKeyVJANEVYGYANZFK-GFCCVEGCSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 82092193
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 3066416
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
(1R)-1-(3-fluoro-4-methoxyphenyl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanol
CID 95172600
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol
CID 110902796
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol (CID 94264435) is (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol is COc1ccc([C@H](O)CN2CCCC2)cc1F.
What is the InChIKey of (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is VJANEVYGYANZFK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-17-13-5-4-10(8-11(13)14)12(16)9-15-6-2-3-7-15/h4-5,8,12,16H,2-3,6-7,9H2,1H3/t12-/m1/s1.
What are the key properties of (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol?
(1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 239.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 94264435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).