(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol

C14H21NO2 — CID 78934419

IUPAC(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C14H21NO2/c1-12(16)13-5-4-6-14(11-13)17-10-9-15-7-2-3-8-15/h4-6,11-12,16H,2-3,7-10H2,1H3/t12-/m1/s1
InChIKeyMZUACQGKGYRHGR-GFCCVEGCSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds5

About (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol

(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (PubChem CID 78934419) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
PubChem CID78934419
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C14H21NO2/c1-12(16)13-5-4-6-14(11-13)17-10-9-15-7-2-3-8-15/h4-6,11-12,16H,2-3,7-10H2,1H3/t12-/m1/s1
InChIKeyMZUACQGKGYRHGR-GFCCVEGCSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 869541
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
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CID 60883623
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
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(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 90706793
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 107720404
1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine
CID 176891275
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (CID 78934419) is (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol is C[C@@H](O)c1cccc(OCCN2CCCC2)c1.
What is the InChIKey of (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol?
The InChIKey is MZUACQGKGYRHGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(16)13-5-4-6-14(11-13)17-10-9-15-7-2-3-8-15/h4-6,11-12,16H,2-3,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol?
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol is sourced from PubChem (CID 78934419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).