1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol

C14H21NO3 — CID 106672249

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
SMILESCc1ccc(C)c(OCCN2CC(O)C(O)C2)c1
InChIInChI=1S/C14H21NO3/c1-10-3-4-11(2)14(7-10)18-6-5-15-8-12(16)13(17)9-15/h3-4,7,12-13,16-17H,5-6,8-9H2,1-2H3
InChIKeyLQPQUXMNNNZTNI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.72
Rot. Bonds4

About 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol

1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol (PubChem CID 106672249) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
PubChem CID106672249
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
SMILESCc1ccc(C)c(OCCN2CC(O)C(O)C2)c1
InChIInChI=1S/C14H21NO3/c1-10-3-4-11(2)14(7-10)18-6-5-15-8-12(16)13(17)9-15/h3-4,7,12-13,16-17H,5-6,8-9H2,1-2H3
InChIKeyLQPQUXMNNNZTNI-UHFFFAOYSA-N
XLogP0.72
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935690
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521786
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545
methyl 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxylate
CID 112730693
[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779812
(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085211
1-(azetidin-3-yl)-4-[2-(2,5-dimethylphenoxy)ethyl]piperazine
CID 66202000

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol (CID 106672249) is 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol is Cc1ccc(C)c(OCCN2CC(O)C(O)C2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol?
The InChIKey is LQPQUXMNNNZTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-3-4-11(2)14(7-10)18-6-5-15-8-12(16)13(17)9-15/h3-4,7,12-13,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol?
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol has a molecular weight of 251.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106672249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).