2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol

C11H16OS — CID 115840237

IUPAC2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccccc1C(O)C(C)C
InChIInChI=1S/C11H16OS/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-8,11-12H,1-3H3
InChIKeyYZNOMQVJQPLYJO-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.10
Rot. Bonds3

About 2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol

2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol (PubChem CID 115840237) has the molecular formula C11H16OS and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol
PubChem CID115840237
Molecular FormulaC11H16OS
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Name2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccccc1C(O)C(C)C
InChIInChI=1S/C11H16OS/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-8,11-12H,1-3H3
InChIKeyYZNOMQVJQPLYJO-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115796515
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013
4-(methylamino)-1-(2-methylsulfanylphenyl)butane-1,2-diol
CID 171889747
1-(2-aminophenyl)-2-methylpropan-1-ol
CID 64834180
ethyl 2,3-dihydroxy-3-(2-methylsulfanylphenyl)propanoate
CID 171865642
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588
(2-methoxyphenyl)-(2-methylsulfanylphenyl)methanol
CID 114978739
2-(1-hydroxy-2-methylpropyl)benzoic acid
CID 83388039
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine
CID 105005378
(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 118675659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol (CID 115840237) is 2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol is CSc1ccccc1C(O)C(C)C.
What is the InChIKey of 2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol?
The InChIKey is YZNOMQVJQPLYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-8(2)11(12)9-6-4-5-7-10(9)13-3/h4-8,11-12H,1-3H3.
What are the key properties of 2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol?
2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol has a molecular weight of 196.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 115840237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).