[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol

C13H19NO2 — CID 106937811

IUPAC[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
SMILESOCc1ccc(COCC2CCCN2)cc1
InChIInChI=1S/C13H19NO2/c15-8-11-3-5-12(6-4-11)9-16-10-13-2-1-7-14-13/h3-6,13-15H,1-2,7-10H2
InChIKeyBVQUHAZZEGLKDC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.45
Rot. Bonds5

About [4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol

[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol (PubChem CID 106937811) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
PubChem CID106937811
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
SMILESOCc1ccc(COCC2CCCN2)cc1
InChIInChI=1S/C13H19NO2/c15-8-11-3-5-12(6-4-11)9-16-10-13-2-1-7-14-13/h3-6,13-15H,1-2,7-10H2
InChIKeyBVQUHAZZEGLKDC-UHFFFAOYSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
CID 86324715
4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride
CID 142630227
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
2-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 62333428
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
CID 97163574
(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124

Frequently Asked Questions

What is the IUPAC name of [4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol?
The IUPAC name of [4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol (CID 106937811) is [4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol.
What is the SMILES notation for [4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol?
The canonical SMILES for [4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol is OCc1ccc(COCC2CCCN2)cc1.
What is the InChIKey of [4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol?
The InChIKey is BVQUHAZZEGLKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-8-11-3-5-12(6-4-11)9-16-10-13-2-1-7-14-13/h3-6,13-15H,1-2,7-10H2.
What are the key properties of [4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol?
[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol is sourced from PubChem (CID 106937811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).