4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol

C18H25NO2 — CID 63217419

IUPAC4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol
SMILESCC1(C)CCCN1CCOc1ccc(C#CCCO)cc1
InChIInChI=1S/C18H25NO2/c1-18(2)11-5-12-19(18)13-15-21-17-9-7-16(8-10-17)6-3-4-14-20/h7-10,20H,4-5,11-15H2,1-2H3
InChIKeySATCRNMNLUAPFU-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.67
Rot. Bonds5

About 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol

4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol (PubChem CID 63217419) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol
PubChem CID63217419
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol
SMILESCC1(C)CCCN1CCOc1ccc(C#CCCO)cc1
InChIInChI=1S/C18H25NO2/c1-18(2)11-5-12-19(18)13-15-21-17-9-7-16(8-10-17)6-3-4-14-20/h7-10,20H,4-5,11-15H2,1-2H3
InChIKeySATCRNMNLUAPFU-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-propoxyphenyl)but-3-yn-1-ol
CID 60800610
4-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]phenyl]but-3-yn-1-ol
CID 63217778
1-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943590
4-[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 62351286
4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
CID 60801474
4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
CID 61494796
4-[2-[(2S)-2-ethyl-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 124621592
4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 103012792
4-[4-[2-(3,3-dimethylbutoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 66224702
1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine
CID 15941902
2-[4-(4-chlorobut-1-ynyl)phenoxy]ethanol
CID 170468023
4-[4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]phenyl]but-3-yn-1-ol
CID 62337947

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol (CID 63217419) is 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol is CC1(C)CCCN1CCOc1ccc(C#CCCO)cc1.
What is the InChIKey of 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol?
The InChIKey is SATCRNMNLUAPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(2)11-5-12-19(18)13-15-21-17-9-7-16(8-10-17)6-3-4-14-20/h7-10,20H,4-5,11-15H2,1-2H3.
What are the key properties of 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol?
4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol has a molecular weight of 287.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 63217419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).