2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone

C17H17FO — CID 63409758

IUPAC2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H17FO/c1-3-13-4-6-14(7-5-13)11-17(19)15-8-9-16(18)12(2)10-15/h4-10H,3,11H2,1-2H3
InChIKeyFAKAWBQVCKUQKF-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone

2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone (PubChem CID 63409758) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
PubChem CID63409758
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H17FO/c1-3-13-4-6-14(7-5-13)11-17(19)15-8-9-16(18)12(2)10-15/h4-10H,3,11H2,1-2H3
InChIKeyFAKAWBQVCKUQKF-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
2-(4-ethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114963475
1-(4-bromo-3,5-dimethylphenyl)-2-(4-ethylphenyl)ethanone
CID 114329542
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864
1-(4-fluoro-3-methylphenyl)octan-1-one
CID 55186778
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 115481784
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592
2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129670
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63483320
1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 63411862

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone (CID 63409758) is 2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone is CCc1ccc(CC(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
The InChIKey is FAKAWBQVCKUQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-3-13-4-6-14(7-5-13)11-17(19)15-8-9-16(18)12(2)10-15/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone?
2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone has a molecular weight of 256.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 63409758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).