(5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone

C15H15FO2 — CID 106883367

IUPAC(5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c(C)cc(C)cc2F)o1
InChIInChI=1S/C15H15FO2/c1-4-11-5-6-13(18-11)15(17)14-10(3)7-9(2)8-12(14)16/h5-8H,4H2,1-3H3
InChIKeyFUVGNRJORBUPID-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.83
Rot. Bonds3

About (5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone

(5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone (PubChem CID 106883367) has the molecular formula C15H15FO2 and a molecular weight of 246.28 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone
PubChem CID106883367
Molecular FormulaC15H15FO2
Molecular Weight246.28 g/mol
Exact Mass246.11
IUPAC Name(5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c(C)cc(C)cc2F)o1
InChIInChI=1S/C15H15FO2/c1-4-11-5-6-13(18-11)15(17)14-10(3)7-9(2)8-12(14)16/h5-8H,4H2,1-3H3
InChIKeyFUVGNRJORBUPID-UHFFFAOYSA-N
XLogP3.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone
CID 106883290
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883185
(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone
CID 63194528
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81283012
(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102762955
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
1-(2-fluoro-4,6-dimethylphenyl)-2,2-dimethylbutan-1-one
CID 106883231
(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102826505

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The IUPAC name of (5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone (CID 106883367) is (5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone is CCc1ccc(C(=O)c2c(C)cc(C)cc2F)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The InChIKey is FUVGNRJORBUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2/c1-4-11-5-6-13(18-11)15(17)14-10(3)7-9(2)8-12(14)16/h5-8H,4H2,1-3H3.
What are the key properties of (5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone?
(5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone has a molecular weight of 246.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106883367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).