[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol

C14H21NO2 — CID 22276061

IUPAC[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol
SMILESCCC(Oc1ccccc1CO)C1CCNC1
InChIInChI=1S/C14H21NO2/c1-2-13(11-7-8-15-9-11)17-14-6-4-3-5-12(14)10-16/h3-6,11,13,15-16H,2,7-10H2,1H3
InChIKeyVEKISAWARUTWGR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds5

About [2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol

[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol (PubChem CID 22276061) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol
PubChem CID22276061
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol
SMILESCCC(Oc1ccccc1CO)C1CCNC1
InChIInChI=1S/C14H21NO2/c1-2-13(11-7-8-15-9-11)17-14-6-4-3-5-12(14)10-16/h3-6,11,13,15-16H,2,7-10H2,1H3
InChIKeyVEKISAWARUTWGR-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine
CID 66892345
(3S)-3-[(1S)-1-(2-ethyl-4-fluorophenoxy)propyl]pyrrolidine
CID 66848796
(3S)-3-[(1R)-1-(2-chlorophenoxy)butyl]pyrrolidine
CID 66892158
3-[1-(4-methylphenoxy)propyl]pyrrolidine
CID 173284733
(3S)-3-[(1S)-1-(4-chloro-2-methylphenoxy)propyl]pyrrolidine
CID 66890259
3-[(1S)-1-(4-chloro-2-fluorophenoxy)propyl]pyrrolidine
CID 66891945
3-[(1R)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66891634
(3S)-3-[(1S)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66892286
2-ethoxy-3-[(1S)-1-[(3S)-piperidin-3-yl]propoxy]pyridine
CID 68594922
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 66890766
3-[(1S)-1-(2-chloro-3,6-difluorophenoxy)propyl]pyrrolidine
CID 66891700
(3S)-3-[(1R)-1-(3-chloro-2-fluorophenoxy)butyl]pyrrolidine
CID 66891122

Frequently Asked Questions

What is the IUPAC name of [2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol?
The IUPAC name of [2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol (CID 22276061) is [2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol.
What is the SMILES notation for [2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol?
The canonical SMILES for [2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol is CCC(Oc1ccccc1CO)C1CCNC1.
What is the InChIKey of [2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol?
The InChIKey is VEKISAWARUTWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-13(11-7-8-15-9-11)17-14-6-4-3-5-12(14)10-16/h3-6,11,13,15-16H,2,7-10H2,1H3.
What are the key properties of [2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol?
[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol is sourced from PubChem (CID 22276061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).