ethane;4-fluoro-2-methyl-5-propan-2-ylphenol

C12H19FO — CID 145193990

IUPACethane;4-fluoro-2-methyl-5-propan-2-ylphenol
SMILESCC.Cc1cc(F)c(C(C)C)cc1O
InChIInChI=1S/C10H13FO.C2H6/c1-6(2)8-5-10(12)7(3)4-9(8)11;1-2/h4-6,12H,1-3H3;1-2H3
InChIKeyUJWLSCANDCLNFB-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.99
Rot. Bonds1

About ethane;4-fluoro-2-methyl-5-propan-2-ylphenol

ethane;4-fluoro-2-methyl-5-propan-2-ylphenol (PubChem CID 145193990) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is ethane;4-fluoro-2-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Nameethane;4-fluoro-2-methyl-5-propan-2-ylphenol
PubChem CID145193990
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Nameethane;4-fluoro-2-methyl-5-propan-2-ylphenol
SMILESCC.Cc1cc(F)c(C(C)C)cc1O
InChIInChI=1S/C10H13FO.C2H6/c1-6(2)8-5-10(12)7(3)4-9(8)11;1-2/h4-6,12H,1-3H3;1-2H3
InChIKeyUJWLSCANDCLNFB-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
4-fluoro-2,5-dimethylphenol
CID 22627623
2-methyl-4-phenyl-5-propan-2-ylphenol
CID 174789166
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117297836
1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 117297798
ethane;N-(4-fluoro-2-methyl-5-propan-2-ylphenyl)sulfanylpropan-2-amine
CID 142320546
1-fluoro-4-[(1R)-1-methoxyethyl]-5-methyl-2-propan-2-ylbenzene
CID 176665151
4-hydroxy-5-methyl-2-propan-2-ylbenzonitrile
CID 130033869
5-amino-4-fluoro-2-methylphenol
CID 10154098
(4-hydroxy-5-methyl-2-propan-2-ylphenyl) thiocyanate
CID 59113705
4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid
CID 84791306
4-amino-4-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid
CID 84791312

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-2-methyl-5-propan-2-ylphenol?
The IUPAC name of ethane;4-fluoro-2-methyl-5-propan-2-ylphenol (CID 145193990) is ethane;4-fluoro-2-methyl-5-propan-2-ylphenol.
What is the SMILES notation for ethane;4-fluoro-2-methyl-5-propan-2-ylphenol?
The canonical SMILES for ethane;4-fluoro-2-methyl-5-propan-2-ylphenol is CC.Cc1cc(F)c(C(C)C)cc1O.
What is the InChIKey of ethane;4-fluoro-2-methyl-5-propan-2-ylphenol?
The InChIKey is UJWLSCANDCLNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO.C2H6/c1-6(2)8-5-10(12)7(3)4-9(8)11;1-2/h4-6,12H,1-3H3;1-2H3.
What are the key properties of ethane;4-fluoro-2-methyl-5-propan-2-ylphenol?
ethane;4-fluoro-2-methyl-5-propan-2-ylphenol has a molecular weight of 198.28 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-2-methyl-5-propan-2-ylphenol is sourced from PubChem (CID 145193990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).