(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C15H17FO3 — CID 171947307

IUPAC(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C15H17FO3/c1-18-14-5-2-10(16)8-13(14)15(17)9-6-11-3-4-12(7-9)19-11/h2,5,8-9,11-12H,3-4,6-7H2,1H3
InChIKeyYWJJLQBQOQTFGC-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.97
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171947307) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171947307
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C15H17FO3/c1-18-14-5-2-10(16)8-13(14)15(17)9-6-11-3-4-12(7-9)19-11/h2,5,8-9,11-12H,3-4,6-7H2,1H3
InChIKeyYWJJLQBQOQTFGC-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone 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

(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
(5-fluoro-2-methoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947309
(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947320
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944974
(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
CID 105125105
(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947649
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
8-oxabicyclo[3.2.1]octan-3-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 171949290
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609664
cis-(1R,3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120679011

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171947307) is (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is COc1ccc(F)cc1C(=O)C1CC2CCC(C1)O2.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is YWJJLQBQOQTFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-18-14-5-2-10(16)8-13(14)15(17)9-6-11-3-4-12(7-9)19-11/h2,5,8-9,11-12H,3-4,6-7H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 264.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171947307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).