2-(1-methylsulfanylethyl)-6-propan-2-ylphenol

C12H18OS — CID 170547306

IUPAC2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
SMILESCSC(C)c1cccc(C(C)C)c1O
InChIInChI=1S/C12H18OS/c1-8(2)10-6-5-7-11(12(10)13)9(3)14-4/h5-9,13H,1-4H3
InChIKeyFEPFQTVHHRPBCB-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.94
Rot. Bonds3

About 2-(1-methylsulfanylethyl)-6-propan-2-ylphenol

2-(1-methylsulfanylethyl)-6-propan-2-ylphenol (PubChem CID 170547306) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-(1-methylsulfanylethyl)-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
PubChem CID170547306
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
SMILESCSC(C)c1cccc(C(C)C)c1O
InChIInChI=1S/C12H18OS/c1-8(2)10-6-5-7-11(12(10)13)9(3)14-4/h5-9,13H,1-4H3
InChIKeyFEPFQTVHHRPBCB-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-di(propan-2-yl)phenol;silver
CID 174803720
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
2-[(1S)-1,2-diaminoethyl]-6-propan-2-ylphenol
CID 55262533
2-bromo-6-propan-2-ylphenol
CID 14663965
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
dichlorotungsten;bis(2,6-di(propan-2-yl)phenol);2-phenylethynylbenzene
CID 134898789
1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
CID 86182436
2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium
CID 11210933
2,6-di(propan-2-yl)phenol;phenyliminomolybdenum
CID 175693069

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanylethyl)-6-propan-2-ylphenol?
The IUPAC name of 2-(1-methylsulfanylethyl)-6-propan-2-ylphenol (CID 170547306) is 2-(1-methylsulfanylethyl)-6-propan-2-ylphenol.
What is the SMILES notation for 2-(1-methylsulfanylethyl)-6-propan-2-ylphenol?
The canonical SMILES for 2-(1-methylsulfanylethyl)-6-propan-2-ylphenol is CSC(C)c1cccc(C(C)C)c1O.
What is the InChIKey of 2-(1-methylsulfanylethyl)-6-propan-2-ylphenol?
The InChIKey is FEPFQTVHHRPBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-8(2)10-6-5-7-11(12(10)13)9(3)14-4/h5-9,13H,1-4H3.
What are the key properties of 2-(1-methylsulfanylethyl)-6-propan-2-ylphenol?
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol has a molecular weight of 210.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylethyl)-6-propan-2-ylphenol is sourced from PubChem (CID 170547306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).