3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol

C13H19NO3 — CID 113438129

IUPAC3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol
SMILESCOCCOc1ccccc1C1(O)CCNC1
InChIInChI=1S/C13H19NO3/c1-16-8-9-17-12-5-3-2-4-11(12)13(15)6-7-14-10-13/h2-5,14-15H,6-10H2,1H3
InChIKeyVOGZJKQZVCGWMP-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.89
Rot. Bonds5

About 3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol

3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol (PubChem CID 113438129) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol
PubChem CID113438129
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol
SMILESCOCCOc1ccccc1C1(O)CCNC1
InChIInChI=1S/C13H19NO3/c1-16-8-9-17-12-5-3-2-4-11(12)13(15)6-7-14-10-13/h2-5,14-15H,6-10H2,1H3
InChIKeyVOGZJKQZVCGWMP-UHFFFAOYSA-N
XLogP0.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methoxyethoxy)phenyl]-1,1-dioxothiolan-3-ol
CID 104658539
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
3-[2-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-ol
CID 113438152
4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
CID 104658769
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 106873761
3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol
CID 114080240
2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine
CID 104660354
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332
3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085
1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine
CID 104659061
3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761278

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol?
The IUPAC name of 3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol (CID 113438129) is 3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol is COCCOc1ccccc1C1(O)CCNC1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol?
The InChIKey is VOGZJKQZVCGWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-8-9-17-12-5-3-2-4-11(12)13(15)6-7-14-10-13/h2-5,14-15H,6-10H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol?
3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol has a molecular weight of 237.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 113438129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).