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

C15H20O3 — CID 54970249

IUPAC4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol
SMILESCCOCCOCc1ccc(C#CCCO)cc1
InChIInChI=1S/C15H20O3/c1-2-17-11-12-18-13-15-8-6-14(7-9-15)5-3-4-10-16/h6-9,16H,2,4,10-13H2,1H3
InChIKeyPFMFYEITGPPUMF-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.97
Rot. Bonds7

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

4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol (PubChem CID 54970249) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol
PubChem CID54970249
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol
SMILESCCOCCOCc1ccc(C#CCCO)cc1
InChIInChI=1S/C15H20O3/c1-2-17-11-12-18-13-15-8-6-14(7-9-15)5-3-4-10-16/h6-9,16H,2,4,10-13H2,1H3
InChIKeyPFMFYEITGPPUMF-UHFFFAOYSA-N
XLogP1.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.97
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-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
CID 60801474
4-[4-[(3-bromophenyl)methoxymethyl]phenyl]but-3-yn-1-ol
CID 82806536
3-[4-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448621
4-(4-propoxyphenyl)but-3-yn-1-ol
CID 60800610
4-[4-(oxan-4-ylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 62383035
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene
CID 102087372
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-propoxypropanamide
CID 62717535
4-[4-[2-(3,3-dimethylbutoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 66224702
4-[3-fluoro-5-(phenylmethoxymethyl)phenyl]but-3-yn-1-ol
CID 79699501
4-[4-(2-ethoxyethoxy)-2-methylphenyl]but-3-yn-1-ol
CID 83134632
1-bromo-4-ethylbenzene;but-3-yn-1-ol;bis(carbon dioxide);4-(4-ethylphenyl)but-3-yn-1-ol
CID 167689129
2-ethoxy-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]ethanesulfonamide
CID 63246443

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol (CID 54970249) is 4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol is CCOCCOCc1ccc(C#CCCO)cc1.
What is the InChIKey of 4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol?
The InChIKey is PFMFYEITGPPUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-17-11-12-18-13-15-8-6-14(7-9-15)5-3-4-10-16/h6-9,16H,2,4,10-13H2,1H3.
What are the key properties of 4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol?
4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol has a molecular weight of 248.32 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyethoxymethyl)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 54970249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).