(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone

C13H15FO3 — CID 115792913

IUPAC(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
SMILESCOc1cccc(C(=O)C2CCOC2C)c1F
InChIInChI=1S/C13H15FO3/c1-8-9(6-7-17-8)13(15)10-4-3-5-11(16-2)12(10)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyKFYQKWLPIGICRW-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.44
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone

(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone (PubChem CID 115792913) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
PubChem CID115792913
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
SMILESCOc1cccc(C(=O)C2CCOC2C)c1F
InChIInChI=1S/C13H15FO3/c1-8-9(6-7-17-8)13(15)10-4-3-5-11(16-2)12(10)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyKFYQKWLPIGICRW-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759374
cyclobutyl-(2-fluoro-3-methoxyphenyl)methanone
CID 82807656
(4-aminooxolan-3-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116587559
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970634
N-(2-carbamothioyl-6-methoxyphenyl)-2-methyloxolane-3-carboxamide
CID 107468432
(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970867
isoquinolin-5-yl-(2-methyloxolan-3-yl)methanone
CID 114970982
(2-fluoro-3-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105123623
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82808493
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
2-chloro-2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanone
CID 112575015

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone (CID 115792913) is (2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone is COc1cccc(C(=O)C2CCOC2C)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is KFYQKWLPIGICRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-8-9(6-7-17-8)13(15)10-4-3-5-11(16-2)12(10)14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone?
(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 238.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 115792913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).