1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone

C16H15FO2 — CID 43413436

IUPAC1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
SMILESCc1ccc(C(=O)COc2cccc(F)c2)cc1C
InChIInChI=1S/C16H15FO2/c1-11-6-7-13(8-12(11)2)16(18)10-19-15-5-3-4-14(17)9-15/h3-9H,10H2,1-2H3
InChIKeyFXDFQQDWJIVRFM-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.70
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone

1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone (PubChem CID 43413436) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
PubChem CID43413436
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
SMILESCc1ccc(C(=O)COc2cccc(F)c2)cc1C
InChIInChI=1S/C16H15FO2/c1-11-6-7-13(8-12(11)2)16(18)10-19-15-5-3-4-14(17)9-15/h3-9H,10H2,1-2H3
InChIKeyFXDFQQDWJIVRFM-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenoxy)-1-(4-iodophenyl)ethanone
CID 43218799
2-(3-fluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 43413421
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
2-(3-fluorophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43413394
2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 83234637
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluorophenoxy)ethanone
CID 43413398
4-bromo-N-[3-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]benzamide
CID 1218497
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
(3aR,7aS)-2-[3-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1217725
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone (CID 43413436) is 1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone is Cc1ccc(C(=O)COc2cccc(F)c2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone?
The InChIKey is FXDFQQDWJIVRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11-6-7-13(8-12(11)2)16(18)10-19-15-5-3-4-14(17)9-15/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone?
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone has a molecular weight of 258.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone is sourced from PubChem (CID 43413436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).