3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol

C15H19FO4 — CID 104564489

IUPAC3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
SMILESCOCCOCCOCc1ccc(F)cc1C#CCO
InChIInChI=1S/C15H19FO4/c1-18-7-8-19-9-10-20-12-14-4-5-15(16)11-13(14)3-2-6-17/h4-5,11,17H,6-10,12H2,1H3
InChIKeyRNQQXICMHSHLSI-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.35
Rot. Bonds8

About 3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol

3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol (PubChem CID 104564489) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
PubChem CID104564489
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
SMILESCOCCOCCOCc1ccc(F)cc1C#CCO
InChIInChI=1S/C15H19FO4/c1-18-7-8-19-9-10-20-12-14-4-5-15(16)11-13(14)3-2-6-17/h4-5,11,17H,6-10,12H2,1H3
InChIKeyRNQQXICMHSHLSI-UHFFFAOYSA-N
XLogP1.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]prop-2-yn-1-ol
CID 103411388
3-[2-(2,2-difluoroethoxymethyl)-5-fluorophenyl]prop-2-yn-1-ol
CID 82007412
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
3-[2-[(2,5-difluorophenoxy)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 63269968
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol
CID 62141594
3-[5-fluoro-2-(3-methylbutoxymethyl)phenyl]prop-2-yn-1-amine
CID 54970107
3-[2-(3,3-dimethylbutoxymethyl)-5-fluorophenyl]prop-2-yn-1-amine
CID 66226956
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54922036
3-[2-[(3,4-dimethylcyclohexyl)oxymethyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 64745980
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
2-[[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]methyl-methylamino]acetamide
CID 54970140

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol (CID 104564489) is 3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol is COCCOCCOCc1ccc(F)cc1C#CCO.
What is the InChIKey of 3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol?
The InChIKey is RNQQXICMHSHLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-18-7-8-19-9-10-20-12-14-4-5-15(16)11-13(14)3-2-6-17/h4-5,11,17H,6-10,12H2,1H3.
What are the key properties of 3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol?
3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol has a molecular weight of 282.31 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 104564489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).