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

C14H15FO2 — CID 81325890

IUPAC3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)cc(OCCC2CC2)c1
InChIInChI=1S/C14H15FO2/c15-13-8-12(2-1-6-16)9-14(10-13)17-7-5-11-3-4-11/h8-11,16H,3-7H2
InChIKeyXCTBLARNAGRKBA-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.35
Rot. Bonds4

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

3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol (PubChem CID 81325890) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol
PubChem CID81325890
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(F)cc(OCCC2CC2)c1
InChIInChI=1S/C14H15FO2/c15-13-8-12(2-1-6-16)9-14(10-13)17-7-5-11-3-4-11/h8-11,16H,3-7H2
InChIKeyXCTBLARNAGRKBA-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.35
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

1-(3-chloroprop-1-ynyl)-3-(2-cyclopropylethoxy)-5-fluorobenzene
CID 81325597
3-[3-fluoro-5-(2-phenoxyethoxy)phenyl]prop-2-yn-1-ol
CID 81314113
3-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 81326509
3-[3-(2-ethoxyethoxy)-5-fluorophenyl]prop-2-yn-1-ol
CID 81326046
3-[3-(3-ethylsulfonylpropoxy)-5-fluorophenyl]prop-2-yn-1-ol
CID 81326195
3-[3-fluoro-5-(2-propoxyethoxy)phenyl]prop-2-yn-1-ol
CID 106455448
3-(3-cyclohexyloxy-5-fluorophenyl)prop-2-yn-1-ol
CID 81325582
3-[3-fluoro-5-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 81326043
3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol
CID 81325966
3-[4-(2-cyclopropylethoxy)-2-methylphenyl]prop-2-yn-1-ol
CID 83134949
3-(3-fluoro-5-propan-2-yloxyphenyl)prop-2-yn-1-ol
CID 81325814
4-[3-fluoro-5-[2-(trifluoromethoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 81326442

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol (CID 81325890) is 3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol is OCC#Cc1cc(F)cc(OCCC2CC2)c1.
What is the InChIKey of 3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is XCTBLARNAGRKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c15-13-8-12(2-1-6-16)9-14(10-13)17-7-5-11-3-4-11/h8-11,16H,3-7H2.
What are the key properties of 3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol?
3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 234.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cyclopropylethoxy)-5-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 81325890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).