(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone

C13H15FO2 — CID 114970634

IUPAC(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
SMILESCc1ccc(F)cc1C(=O)C1CCOC1C
InChIInChI=1S/C13H15FO2/c1-8-3-4-10(14)7-12(8)13(15)11-5-6-16-9(11)2/h3-4,7,9,11H,5-6H2,1-2H3
InChIKeyBNFKKOKYHLHEKI-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.74
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone

(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone (PubChem CID 114970634) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
PubChem CID114970634
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone
SMILESCc1ccc(F)cc1C(=O)C1CCOC1C
InChIInChI=1S/C13H15FO2/c1-8-3-4-10(14)7-12(8)13(15)11-5-6-16-9(11)2/h3-4,7,9,11H,5-6H2,1-2H3
InChIKeyBNFKKOKYHLHEKI-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone (CID 114970634) is (5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone is Cc1ccc(F)cc1C(=O)C1CCOC1C.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is BNFKKOKYHLHEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-8-3-4-10(14)7-12(8)13(15)11-5-6-16-9(11)2/h3-4,7,9,11H,5-6H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone?
(5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 222.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114970634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).