(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol

C16H18OS — CID 55238900

IUPAC(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccc(C)c(Sc2ccc([C@@H](C)O)cc2)c1
InChIInChI=1S/C16H18OS/c1-11-4-5-12(2)16(10-11)18-15-8-6-14(7-9-15)13(3)17/h4-10,13,17H,1-3H3/t13-/m1/s1
InChIKeyRQCNREMHJFLEFD-CYBMUJFWSA-N
MW258.39 g/mol
LogP4.51
Rot. Bonds3

About (1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol

(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol (PubChem CID 55238900) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is (1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
PubChem CID55238900
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccc(C)c(Sc2ccc([C@@H](C)O)cc2)c1
InChIInChI=1S/C16H18OS/c1-11-4-5-12(2)16(10-11)18-15-8-6-14(7-9-15)13(3)17/h4-10,13,17H,1-3H3/t13-/m1/s1
InChIKeyRQCNREMHJFLEFD-CYBMUJFWSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 63835400
1-[3-bromo-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 63814157
1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63814435
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238711
(1S)-1-[4-(3,4-dimethylphenyl)sulfanyl-3-fluorophenyl]ethanol
CID 55240041
(1R)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 55238909
(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951491
(1R)-1-[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]ethanol
CID 78951858
1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]ethanol
CID 55237966
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814615
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide
CID 7925847

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol (CID 55238900) is (1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol is Cc1ccc(C)c(Sc2ccc([C@@H](C)O)cc2)c1.
What is the InChIKey of (1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol?
The InChIKey is RQCNREMHJFLEFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18OS/c1-11-4-5-12(2)16(10-11)18-15-8-6-14(7-9-15)13(3)17/h4-10,13,17H,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol?
(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol has a molecular weight of 258.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 55238900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).