(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone

C13H15FO2 — CID 106880808

IUPAC(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone
SMILESCc1cc(C)c(C(=O)C2CCOC2)c(F)c1
InChIInChI=1S/C13H15FO2/c1-8-5-9(2)12(11(14)6-8)13(15)10-3-4-16-7-10/h5-6,10H,3-4,7H2,1-2H3
InChIKeyFOSKAHIZUBGEQB-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.66
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone

(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone (PubChem CID 106880808) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone
PubChem CID106880808
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone
SMILESCc1cc(C)c(C(=O)C2CCOC2)c(F)c1
InChIInChI=1S/C13H15FO2/c1-8-5-9(2)12(11(14)6-8)13(15)10-3-4-16-7-10/h5-6,10H,3-4,7H2,1-2H3
InChIKeyFOSKAHIZUBGEQB-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-2,6-dimethylphenyl)-(oxan-3-yl)methanone
CID 106876876
2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106880824
(4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone
CID 65330614
(2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097324
(2-fluoro-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanol
CID 114242074
(3-fluoro-4-methylphenyl)-(oxan-3-yl)methanone
CID 107128324
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone
CID 114972047
(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
CID 116920159
(3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone
CID 130594538
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252
(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone
CID 114241890

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone (CID 106880808) is (2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone is Cc1cc(C)c(C(=O)C2CCOC2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone?
The InChIKey is FOSKAHIZUBGEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-8-5-9(2)12(11(14)6-8)13(15)10-3-4-16-7-10/h5-6,10H,3-4,7H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone has a molecular weight of 222.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 106880808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).