1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone

C13H15FO3 — CID 63067473

IUPAC1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCC1CCOC1
InChIInChI=1S/C13H15FO3/c1-9(15)12-3-2-11(14)6-13(12)17-8-10-4-5-16-7-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyBMDMSAOLCIVLIL-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.44
Rot. Bonds4

About 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone

1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone (PubChem CID 63067473) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
PubChem CID63067473
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OCC1CCOC1
InChIInChI=1S/C13H15FO3/c1-9(15)12-3-2-11(14)6-13(12)17-8-10-4-5-16-7-10/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyBMDMSAOLCIVLIL-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
CID 99773305
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 62104424
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
1-[2-(2-bromoethoxy)-4-fluorophenyl]ethanone
CID 63069077
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone
CID 103158590
2-(cyclopropylmethoxy)-4-fluorobenzamide
CID 70194943
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone
CID 79218922
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
4-methyl-3-(oxolan-3-ylmethoxy)benzoic acid
CID 61379995

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone (CID 63067473) is 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone is CC(=O)c1ccc(F)cc1OCC1CCOC1.
What is the InChIKey of 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone?
The InChIKey is BMDMSAOLCIVLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-9(15)12-3-2-11(14)6-13(12)17-8-10-4-5-16-7-10/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone?
1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone has a molecular weight of 238.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 63067473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).