(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol

C11H16OS — CID 78951470

IUPAC(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccccc1[C@@H](C)O
InChIInChI=1S/C11H16OS/c1-8(2)13-11-7-5-4-6-10(11)9(3)12/h4-9,12H,1-3H3/t9-/m1/s1
InChIKeyVNGXZHODMNKYLA-SECBINFHSA-N
MW196.31 g/mol
LogP3.24
Rot. Bonds3

About (1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol

(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol (PubChem CID 78951470) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol
PubChem CID78951470
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccccc1[C@@H](C)O
InChIInChI=1S/C11H16OS/c1-8(2)13-11-7-5-4-6-10(11)9(3)12/h4-9,12H,1-3H3/t9-/m1/s1
InChIKeyVNGXZHODMNKYLA-SECBINFHSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-butan-2-ylsulfanylphenyl)ethanol
CID 78951829
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
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(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine
CID 60885151
(1R)-1-(2-benzylsulfanylphenyl)ethanol
CID 63812589
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814608
(1S)-1-(2-thiophen-2-ylsulfanylphenyl)ethanol
CID 63814412
(1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 65041142
(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol
CID 78951870
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol?
The IUPAC name of (1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol (CID 78951470) is (1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol is CC(C)Sc1ccccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol?
The InChIKey is VNGXZHODMNKYLA-SECBINFHSA-N. The full InChI is InChI=1S/C11H16OS/c1-8(2)13-11-7-5-4-6-10(11)9(3)12/h4-9,12H,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol?
(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol has a molecular weight of 196.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 78951470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).