1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one

C14H19FO2 — CID 106880988

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
SMILESCc1cc(C)c(C(=O)C(O)C(C)(C)C)c(F)c1
InChIInChI=1S/C14H19FO2/c1-8-6-9(2)11(10(15)7-8)12(16)13(17)14(3,4)5/h6-7,13,17H,1-5H3
InChIKeyFPMJEOYXJFSJHB-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.03
Rot. Bonds2

About 1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one

1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one (PubChem CID 106880988) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
PubChem CID106880988
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
SMILESCc1cc(C)c(C(=O)C(O)C(C)(C)C)c(F)c1
InChIInChI=1S/C14H19FO2/c1-8-6-9(2)11(10(15)7-8)12(16)13(17)14(3,4)5/h6-7,13,17H,1-5H3
InChIKeyFPMJEOYXJFSJHB-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 130665453
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011
1-(2-fluoro-5-methylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456342
1-(2-fluoro-4,6-dimethylphenyl)-2,2-dimethylbutan-1-one
CID 106883231
(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-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883112
2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one
CID 106883040
1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
CID 106883351
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone
CID 106880956
2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
CID 103513549
2-(azepan-1-yl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106880847

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one (CID 106880988) is 1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one is Cc1cc(C)c(C(=O)C(O)C(C)(C)C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The InChIKey is FPMJEOYXJFSJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-8-6-9(2)11(10(15)7-8)12(16)13(17)14(3,4)5/h6-7,13,17H,1-5H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one?
1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one has a molecular weight of 238.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one is sourced from PubChem (CID 106880988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).