6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one

C20H23FO — CID 58378560

IUPAC6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one
SMILESCc1ccc(C(CCC(=O)C(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FO/c1-14(2)20(22)13-12-19(16-6-4-15(3)5-7-16)17-8-10-18(21)11-9-17/h4-11,14,19H,12-13H2,1-3H3
InChIKeyXVRBFJIZCNZQEQ-UHFFFAOYSA-N
MW298.40 g/mol
LogP5.27
Rot. Bonds6

About 6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one

6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one (PubChem CID 58378560) has the molecular formula C20H23FO and a molecular weight of 298.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one
PubChem CID58378560
Molecular FormulaC20H23FO
Molecular Weight298.40 g/mol
Exact Mass298.17
IUPAC Name6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one
SMILESCc1ccc(C(CCC(=O)C(C)C)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FO/c1-14(2)20(22)13-12-19(16-6-4-15(3)5-7-16)17-8-10-18(21)11-9-17/h4-11,14,19H,12-13H2,1-3H3
InChIKeyXVRBFJIZCNZQEQ-UHFFFAOYSA-N
XLogP5.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
CID 59102457
1-[5,5-bis(4-fluorophenyl)pentyl]-3-(4-methylphenyl)urea
CID 159537469
1,1-bis(4-fluorophenyl)-3-methylbutan-2-one
CID 58378623
N-[(E)-4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-enyl]-4-methylbenzamide
CID 11554953
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 18200777
1-(4-fluorophenyl)-3-methyl-1-phenylbutan-2-one
CID 79298499
ethane;2-methylhexan-3-one;2-methyl-1-(4-methylphenyl)propan-1-one
CID 163265020
2-[4-(4-fluorobenzoyl)phenyl]-2-(4-methylphenyl)acetic acid
CID 170873795
2-methylpropanoic acid;1,4-xylene
CID 142846820
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
1-fluoro-4-[2-methyl-1-(4-methylphenyl)propyl]benzene
CID 21336384
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one (CID 58378560) is 6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one is Cc1ccc(C(CCC(=O)C(C)C)c2ccc(F)cc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one?
The InChIKey is XVRBFJIZCNZQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO/c1-14(2)20(22)13-12-19(16-6-4-15(3)5-7-16)17-8-10-18(21)11-9-17/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one?
6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one has a molecular weight of 298.40 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-methyl-6-(4-methylphenyl)hexan-3-one is sourced from PubChem (CID 58378560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).