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

C14H18O3 — CID 60801474

IUPAC4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
SMILESCCOCCOc1ccc(C#CCCO)cc1
InChIInChI=1S/C14H18O3/c1-2-16-11-12-17-14-8-6-13(7-9-14)5-3-4-10-15/h6-9,15H,2,4,10-12H2,1H3
InChIKeyIIJFGLHWNCAJPF-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.84
Rot. Bonds6

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

4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol (PubChem CID 60801474) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
PubChem CID60801474
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
SMILESCCOCCOc1ccc(C#CCCO)cc1
InChIInChI=1S/C14H18O3/c1-2-16-11-12-17-14-8-6-13(7-9-14)5-3-4-10-15/h6-9,15H,2,4,10-12H2,1H3
InChIKeyIIJFGLHWNCAJPF-UHFFFAOYSA-N
XLogP1.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propoxyphenyl)but-3-yn-1-ol
CID 60800610
4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol
CID 54970249
4-[4-[2-(3,3-dimethylbutoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 66224702
4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol
CID 83134632
3-[4-(2-butoxyethoxy)phenyl]prop-2-yn-1-ol
CID 54956139
4-[3-(2-propoxyethoxy)phenyl]but-3-yn-1-ol
CID 54974912
3-[4-(ethoxymethoxy)phenyl]prop-2-yn-1-ol
CID 65369709
2-[4-(4-chlorobut-1-ynyl)phenoxy]ethanol
CID 170468023
4-[4-(2-butoxyethoxy)-3-methylphenyl]but-3-yn-1-ol
CID 63214238
4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol
CID 65369770
4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
CID 61494796
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-ethoxyethoxy)phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol (CID 60801474) is 4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol is CCOCCOc1ccc(C#CCCO)cc1.
What is the InChIKey of 4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol?
The InChIKey is IIJFGLHWNCAJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-16-11-12-17-14-8-6-13(7-9-14)5-3-4-10-15/h6-9,15H,2,4,10-12H2,1H3.
What are the key properties of 4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol?
4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol has a molecular weight of 234.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 60801474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).