3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol

C15H19FO3 — CID 65203245

IUPAC3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol
SMILESCCCCOCCOc1ccc(C#CCO)c(F)c1
InChIInChI=1S/C15H19FO3/c1-2-3-9-18-10-11-19-14-7-6-13(5-4-8-17)15(16)12-14/h6-7,12,17H,2-3,8-11H2,1H3
InChIKeyFYCRDTQKWWAIPE-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.37
Rot. Bonds7

About 3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol

3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol (PubChem CID 65203245) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol
PubChem CID65203245
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol
SMILESCCCCOCCOc1ccc(C#CCO)c(F)c1
InChIInChI=1S/C15H19FO3/c1-2-3-9-18-10-11-19-14-7-6-13(5-4-8-17)15(16)12-14/h6-7,12,17H,2-3,8-11H2,1H3
InChIKeyFYCRDTQKWWAIPE-UHFFFAOYSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.37
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

3-[2-fluoro-4-(2-fluoroethoxy)phenyl]prop-2-yn-1-ol
CID 80695113
3-[4-(ethoxymethoxy)-2-fluorophenyl]prop-2-yn-1-ol
CID 65369091
3-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 65202424
3-[4-(2-butoxyethoxy)phenyl]prop-2-yn-1-ol
CID 54956139
3-(4-hexoxy-2-methylphenyl)prop-2-yn-1-ol
CID 83135099
3-[4-(2-tert-butylsulfonylethoxy)-2-fluorophenyl]prop-2-yn-1-ol
CID 106728175
3-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-ol
CID 82914917
3-(4-dodecoxy-2-fluorophenyl)prop-2-ynoic acid
CID 23354709
1-(4-chlorobut-1-ynyl)-2-fluoro-4-[2-(3-methylbutoxy)ethoxy]benzene
CID 65203200
2,3-difluoro-6-[2-[4-[2-(2-fluoro-4-pentoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139858822
3-[2-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 114348433
1-(4-chlorobut-1-ynyl)-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 65202491

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol (CID 65203245) is 3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol is CCCCOCCOc1ccc(C#CCO)c(F)c1.
What is the InChIKey of 3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is FYCRDTQKWWAIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-2-3-9-18-10-11-19-14-7-6-13(5-4-8-17)15(16)12-14/h6-7,12,17H,2-3,8-11H2,1H3.
What are the key properties of 3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol?
3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 266.31 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-butoxyethoxy)-2-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 65203245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).