[2-(phenoxymethyl)pyrrolidin-3-yl]methanol

C12H17NO2 — CID 56975275

IUPAC[2-(phenoxymethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCNC1COc1ccccc1
InChIInChI=1S/C12H17NO2/c14-8-10-6-7-13-12(10)9-15-11-4-2-1-3-5-11/h1-5,10,12-14H,6-9H2
InChIKeyUQQVFLNCIWJHFF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.04
Rot. Bonds4

About [2-(phenoxymethyl)pyrrolidin-3-yl]methanol

[2-(phenoxymethyl)pyrrolidin-3-yl]methanol (PubChem CID 56975275) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is [2-(phenoxymethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[2-(phenoxymethyl)pyrrolidin-3-yl]methanol
PubChem CID56975275
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name[2-(phenoxymethyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCNC1COc1ccccc1
InChIInChI=1S/C12H17NO2/c14-8-10-6-7-13-12(10)9-15-11-4-2-1-3-5-11/h1-5,10,12-14H,6-9H2
InChIKeyUQQVFLNCIWJHFF-UHFFFAOYSA-N
XLogP1.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3S)-3-benzylpyrrolidin-2-yl]methanol
CID 130754239
3-[[(2R,3S)-3-propylpyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 70127965
2-[(4-chlorophenoxy)methyl]pyrrolidine-3-carboxylic acid
CID 82363503
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
cyclopropylmethoxybenzene
CID 12712156
[(2R,3R)-2-ethylpyrrolidin-3-yl]methanol
CID 124705557
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine
CID 131844495
2-(phenoxymethyl)-1,3-diazinan-4-one
CID 76955615
[(2S,3R)-3-phenylmethoxypyrrolidin-2-yl]methanol
CID 167117714
[3-(phenoxymethyl)oxiran-2-yl]methanol
CID 174606706

Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [2-(phenoxymethyl)pyrrolidin-3-yl]methanol (CID 56975275) is [2-(phenoxymethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [2-(phenoxymethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [2-(phenoxymethyl)pyrrolidin-3-yl]methanol is OCC1CCNC1COc1ccccc1.
What is the InChIKey of [2-(phenoxymethyl)pyrrolidin-3-yl]methanol?
The InChIKey is UQQVFLNCIWJHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c14-8-10-6-7-13-12(10)9-15-11-4-2-1-3-5-11/h1-5,10,12-14H,6-9H2.
What are the key properties of [2-(phenoxymethyl)pyrrolidin-3-yl]methanol?
[2-(phenoxymethyl)pyrrolidin-3-yl]methanol has a molecular weight of 207.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 56975275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).