3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol

C14H15FO2 — CID 62141594

IUPAC3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)ccc1COC1CCC1
InChIInChI=1S/C14H15FO2/c15-13-7-6-12(10-17-14-4-1-5-14)11(9-13)3-2-8-16/h6-7,9,14,16H,1,4-5,8,10H2
InChIKeyWYOKJGSUHATPCM-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.24
Rot. Bonds3

About 3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol

3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol (PubChem CID 62141594) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol
PubChem CID62141594
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)ccc1COC1CCC1
InChIInChI=1S/C14H15FO2/c15-13-7-6-12(10-17-14-4-1-5-14)11(9-13)3-2-8-16/h6-7,9,14,16H,1,4-5,8,10H2
InChIKeyWYOKJGSUHATPCM-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3,4-dimethylcyclohexyl)oxymethyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 64745980
3-[2-(cyclopentyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969852
3-[2-(cyclohexyloxymethyl)phenyl]prop-2-yn-1-ol
CID 54969756
3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
CID 62141595
3-[2-[(2,5-difluorophenoxy)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 63269968
3-[2-(2,2-difluoroethoxymethyl)-5-fluorophenyl]prop-2-yn-1-ol
CID 82007412
2-(cyclobutyloxymethyl)-5-fluoroaniline
CID 64768837
2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
CID 62142376
3-[3-(cyclobutyloxymethyl)-4-methoxyphenyl]prop-2-yn-1-ol
CID 62141418
3-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 104564489
4-[2-(cyclohexylmethoxymethyl)-5-fluorophenyl]but-3-yn-1-ol
CID 62383929
3-[2-[(2,3-dimethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 62124665

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol (CID 62141594) is 3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol is OCC#Cc1cc(F)ccc1COC1CCC1.
What is the InChIKey of 3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is WYOKJGSUHATPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c15-13-7-6-12(10-17-14-4-1-5-14)11(9-13)3-2-8-16/h6-7,9,14,16H,1,4-5,8,10H2.
What are the key properties of 3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol?
3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 234.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclobutyloxymethyl)-5-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 62141594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).