3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol

C15H17FO3 — CID 114675226

IUPAC3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(F)c(OCCC2CCCO2)c1
InChIInChI=1S/C15H17FO3/c16-14-6-5-12(3-1-8-17)11-15(14)19-10-7-13-4-2-9-18-13/h5-6,11,13,17H,2,4,7-10H2
InChIKeyCNMFAWWRWQZLJX-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.12
Rot. Bonds4

About 3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol

3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol (PubChem CID 114675226) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
PubChem CID114675226
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc(F)c(OCCC2CCCO2)c1
InChIInChI=1S/C15H17FO3/c16-14-6-5-12(3-1-8-17)11-15(14)19-10-7-13-4-2-9-18-13/h5-6,11,13,17H,2,4,7-10H2
InChIKeyCNMFAWWRWQZLJX-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-fluoro-3-(3,3,3-trifluoropropoxy)phenyl]prop-2-yn-1-ol
CID 114675198
3-(4-fluoro-3-pentoxyphenyl)prop-2-yn-1-ol
CID 114675177
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160649
3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675659
2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane
CID 107691831
4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarbothioamide
CID 113277364
3-[2-fluoro-4-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202481
2-[5-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65164179
3-amino-4-[2-(oxolan-2-yl)ethoxy]benzonitrile
CID 65158672
3-[3-[(2,6-dimethylphenyl)methoxy]-4-fluorophenyl]prop-2-yn-1-ol
CID 114675253
2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107014133
4-chloro-2-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277413

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol (CID 114675226) is 3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol is OCC#Cc1ccc(F)c(OCCC2CCCO2)c1.
What is the InChIKey of 3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is CNMFAWWRWQZLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c16-14-6-5-12(3-1-8-17)11-15(14)19-10-7-13-4-2-9-18-13/h5-6,11,13,17H,2,4,7-10H2.
What are the key properties of 3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol?
3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 264.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 114675226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).