1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol

C13H19NO2 — CID 106672342

IUPAC1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
SMILESCCc1ccc(CN2CC(O)C(O)C2)cc1
InChIInChI=1S/C13H19NO2/c1-2-10-3-5-11(6-4-10)7-14-8-12(15)13(16)9-14/h3-6,12-13,15-16H,2,7-9H2,1H3
InChIKeyJZKSENYVGSDGQK-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.79
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol

1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol (PubChem CID 106672342) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
PubChem CID106672342
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
SMILESCCc1ccc(CN2CC(O)C(O)C2)cc1
InChIInChI=1S/C13H19NO2/c1-2-10-3-5-11(6-4-10)7-14-8-12(15)13(16)9-14/h3-6,12-13,15-16H,2,7-9H2,1H3
InChIKeyJZKSENYVGSDGQK-UHFFFAOYSA-N
XLogP0.79
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 91139311
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 143992061
(3R,5S)-1-[(4-pentoxyphenyl)methyl]piperidine-3,4,5-triol
CID 166834208
1-[(4-ethylphenyl)methyl]-3-fluoro-4-methoxypyrrolidine
CID 138715323
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol (CID 106672342) is 1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol is CCc1ccc(CN2CC(O)C(O)C2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol?
The InChIKey is JZKSENYVGSDGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-10-3-5-11(6-4-10)7-14-8-12(15)13(16)9-14/h3-6,12-13,15-16H,2,7-9H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol?
1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol has a molecular weight of 221.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106672342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).