1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one

C13H17FO — CID 117297798

IUPAC1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C(C)C)c(F)cc1C
InChIInChI=1S/C13H17FO/c1-8(2)12-7-11(6-10(4)15)9(3)5-13(12)14/h5,7-8H,6H2,1-4H3
InChIKeyYZSAWYMBPXCHMB-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.39
Rot. Bonds3

About 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one

1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one (PubChem CID 117297798) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
PubChem CID117297798
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C(C)C)c(F)cc1C
InChIInChI=1S/C13H17FO/c1-8(2)12-7-11(6-10(4)15)9(3)5-13(12)14/h5,7-8H,6H2,1-4H3
InChIKeyYZSAWYMBPXCHMB-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-fluoro-2-methyl-5-propan-2-ylphenol
CID 145193990
3-(2,4-difluoro-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117357572
5-fluoro-2-methyl-4-propan-2-ylbenzamide
CID 58333607
1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
CID 152963520
2-amino-3-(2,4-difluoro-5-propan-2-ylphenyl)propanoic acid
CID 117359429
1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene
CID 176665151
1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one
CID 146613098
O-[(2,4-difluoro-5-propan-2-ylphenyl)methyl]hydroxylamine
CID 117289934
1-(2,3-dimethyl-5-propan-2-ylphenyl)propan-2-one
CID 117292880
1-(2,3,5,6-tetrafluorophenyl)propan-2-one
CID 117294401
1-(4-chloro-3-propan-2-ylphenyl)propan-2-one
CID 157171758
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one?
The IUPAC name of 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one (CID 117297798) is 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one?
The canonical SMILES for 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one is CC(=O)Cc1cc(C(C)C)c(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one?
The InChIKey is YZSAWYMBPXCHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-8(2)12-7-11(6-10(4)15)9(3)5-13(12)14/h5,7-8H,6H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one?
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one has a molecular weight of 208.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one is sourced from PubChem (CID 117297798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).