(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol

C11H16OS — CID 78951591

IUPAC(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccc([C@H](C)O)cc1
InChIInChI=1S/C11H16OS/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9,12H,1-3H3/t9-/m0/s1
InChIKeyQKIPXMKQHNWHGS-VIFPVBQESA-N
MW196.31 g/mol
LogP3.24
Rot. Bonds3

About (1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol

(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol (PubChem CID 78951591) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
PubChem CID78951591
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccc([C@H](C)O)cc1
InChIInChI=1S/C11H16OS/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9,12H,1-3H3/t9-/m0/s1
InChIKeyQKIPXMKQHNWHGS-VIFPVBQESA-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

3-[4-(1-hydroxyethyl)phenyl]sulfanylbutan-1-ol
CID 66136878
2-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
CID 3042918
2-(4-propan-2-ylsulfanylphenyl)propanoate
CID 78422660
2-[4-(1-hydroxyethyl)phenyl]sulfanylbutanoic acid
CID 64661810
1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine
CID 82470792
(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 95422491
1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814615
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
2,3-diamino-3-(4-propan-2-ylsulfanylphenyl)propanoic acid
CID 116942259
2-(4-propan-2-ylsulfanylphenyl)butanoic acid
CID 16640883
(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 78951403
1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol
CID 63835748

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol?
The IUPAC name of (1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol (CID 78951591) is (1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol is CC(C)Sc1ccc([C@H](C)O)cc1.
What is the InChIKey of (1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol?
The InChIKey is QKIPXMKQHNWHGS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16OS/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9,12H,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol?
(1S)-1-(4-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 (1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 78951591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).