1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol

C13H19FOS — CID 106881058

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
SMILESCc1cc(C)c(C(O)CSC(C)C)c(F)c1
InChIInChI=1S/C13H19FOS/c1-8(2)16-7-12(15)13-10(4)5-9(3)6-11(13)14/h5-6,8,12,15H,7H2,1-4H3
InChIKeyYOGDJTUGHJICTG-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.62
Rot. Bonds4

About 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol

1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol (PubChem CID 106881058) has the molecular formula C13H19FOS and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
PubChem CID106881058
Molecular FormulaC13H19FOS
Molecular Weight242.36 g/mol
Exact Mass242.11
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
SMILESCc1cc(C)c(C(O)CSC(C)C)c(F)c1
InChIInChI=1S/C13H19FOS/c1-8(2)16-7-12(15)13-10(4)5-9(3)6-11(13)14/h5-6,8,12,15H,7H2,1-4H3
InChIKeyYOGDJTUGHJICTG-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881089
2-(4-bromophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881082
2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881116
3-(diethylamino)-1-(2-fluoro-4,6-dimethylphenyl)propan-1-ol
CID 106881114
1-(2-fluoro-4,6-dimethylphenyl)-4-methoxypentan-1-ol
CID 106884071
1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106884137
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931
1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethanol
CID 106881025
3-(2-fluoro-4,6-dimethylphenyl)pentane-2,4-dione
CID 58964845
1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106881014
2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881599
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol (CID 106881058) is 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol is Cc1cc(C)c(C(O)CSC(C)C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol?
The InChIKey is YOGDJTUGHJICTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FOS/c1-8(2)16-7-12(15)13-10(4)5-9(3)6-11(13)14/h5-6,8,12,15H,7H2,1-4H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol?
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol has a molecular weight of 242.36 g/mol, XLogP of 3.62, 4 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-propan-2-ylsulfanylethanol is sourced from PubChem (CID 106881058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).