4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol

C16H23NO2 — CID 54923470

IUPAC4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol
SMILESCCN(CC)CCOc1cccc(C#CCCO)c1
InChIInChI=1S/C16H23NO2/c1-3-17(4-2)11-13-19-16-10-7-9-15(14-16)8-5-6-12-18/h7,9-10,14,18H,3-4,6,11-13H2,1-2H3
InChIKeyXUFCABDBYZNPKJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.14
Rot. Bonds7

About 4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol

4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol (PubChem CID 54923470) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol
PubChem CID54923470
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol
SMILESCCN(CC)CCOc1cccc(C#CCCO)c1
InChIInChI=1S/C16H23NO2/c1-3-17(4-2)11-13-19-16-10-7-9-15(14-16)8-5-6-12-18/h7,9-10,14,18H,3-4,6,11-13H2,1-2H3
InChIKeyXUFCABDBYZNPKJ-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol
CID 65369770
4-(3-heptoxyphenyl)but-3-yn-1-ol
CID 54923421
4-(3-hexoxyphenyl)but-3-yn-1-ol
CID 54923468
4-[3-(2-propoxyethoxy)phenyl]but-3-yn-1-ol
CID 54974912
4-[3-(3-fluoropropoxy)phenyl]but-3-yn-1-ol
CID 81114378
3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313
3-[3-[2-[2-ethoxyethyl(ethyl)amino]ethoxy]phenyl]prop-2-yn-1-amine
CID 63690863
4-[3-(2-propan-2-ylsulfanylethoxy)phenyl]but-3-yn-1-ol
CID 54975022
4-[3-(3-phenylpropoxy)phenyl]but-3-yn-1-ol
CID 60800438
4-[3-(diethylaminomethyl)phenyl]but-3-yn-1-ol
CID 54969736
2-[ethyl-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]amino]acetamide
CID 103104040
N-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-N-ethyl-2-methylbutan-1-amine
CID 79481759

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol (CID 54923470) is 4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol is CCN(CC)CCOc1cccc(C#CCCO)c1.
What is the InChIKey of 4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol?
The InChIKey is XUFCABDBYZNPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-17(4-2)11-13-19-16-10-7-9-15(14-16)8-5-6-12-18/h7,9-10,14,18H,3-4,6,11-13H2,1-2H3.
What are the key properties of 4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol?
4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(diethylamino)ethoxy]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 54923470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).