2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol

C12H18OS — CID 115796515

IUPAC2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccccc1C(O)C(C)(C)C
InChIInChI=1S/C12H18OS/c1-12(2,3)11(13)9-7-5-6-8-10(9)14-4/h5-8,11,13H,1-4H3
InChIKeyOILKVUSBMOVTEZ-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.49
Rot. Bonds2

About 2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol

2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol (PubChem CID 115796515) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol
PubChem CID115796515
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol
SMILESCSc1ccccc1C(O)C(C)(C)C
InChIInChI=1S/C12H18OS/c1-12(2,3)11(13)9-7-5-6-8-10(9)14-4/h5-8,11,13H,1-4H3
InChIKeyOILKVUSBMOVTEZ-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115840237
2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115786607
4,4,4-trifluoro-1-(2-methylsulfanylphenyl)butan-1-ol
CID 115808769
(2-methoxyphenyl)-(2-methylsulfanylphenyl)methanol
CID 114978739
1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 115796476
2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide
CID 44723629
1-(2-methylsulfanylphenyl)heptan-1-ol
CID 115783455
(R)-(2-methylsulfanylphenyl)-pyridin-2-ylmethanol
CID 97292943
(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid
CID 130742230
(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol
CID 115792773
tert-butyl N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]carbamate
CID 170831645
1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 105467275

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol (CID 115796515) is 2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol is CSc1ccccc1C(O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol?
The InChIKey is OILKVUSBMOVTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-12(2,3)11(13)9-7-5-6-8-10(9)14-4/h5-8,11,13H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol?
2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol has a molecular weight of 210.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 115796515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).