2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone

C18H19FO — CID 106876875

IUPAC2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2c(C)cc(F)cc2C)c1
InChIInChI=1S/C18H19FO/c1-11-5-6-12(2)15(7-11)10-17(20)18-13(3)8-16(19)9-14(18)4/h5-9H,10H2,1-4H3
InChIKeyFPWVUXMBVULNBM-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.48
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone

2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone (PubChem CID 106876875) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone
PubChem CID106876875
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2c(C)cc(F)cc2C)c1
InChIInChI=1S/C18H19FO/c1-11-5-6-12(2)15(7-11)10-17(20)18-13(3)8-16(19)9-14(18)4/h5-9H,10H2,1-4H3
InChIKeyFPWVUXMBVULNBM-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
1-(3-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63526829
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029336
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106865458
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79522962
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
CID 63411827

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone (CID 106876875) is 2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2c(C)cc(F)cc2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone?
The InChIKey is FPWVUXMBVULNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-11-5-6-12(2)15(7-11)10-17(20)18-13(3)8-16(19)9-14(18)4/h5-9H,10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone?
2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone has a molecular weight of 270.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 106876875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).