(1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol

C15H15ClOS — CID 55239857

IUPAC(1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccccc1Sc1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C15H15ClOS/c1-10-5-3-4-6-14(10)18-15-8-7-12(11(2)17)9-13(15)16/h3-9,11,17H,1-2H3/t11-/m0/s1
InChIKeyLFYUIJSFLMQNNK-NSHDSACASA-N
MW278.80 g/mol
LogP4.85
Rot. Bonds3

About (1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol

(1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol (PubChem CID 55239857) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol
PubChem CID55239857
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name(1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccccc1Sc1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C15H15ClOS/c1-10-5-3-4-6-14(10)18-15-8-7-12(11(2)17)9-13(15)16/h3-9,11,17H,1-2H3/t11-/m0/s1
InChIKeyLFYUIJSFLMQNNK-NSHDSACASA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]ethanol
CID 78951858
1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 63835400
(1S)-1-[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]ethanol
CID 78951361
1-[3-chloro-4-(2-methylpropylsulfanyl)phenyl]ethanol
CID 63814172
3-[2-chloro-4-(1-hydroxyethyl)phenyl]sulfanylbutan-2-ol
CID 107772304
1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 63835578
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1S)-1-[3-chloro-4-(2,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 78944451
1-(4-amino-3-chlorophenyl)ethanol
CID 126971129
1-[3-chloro-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63532150
(1R)-1-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]ethanamine
CID 63532454
(1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431914

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol (CID 55239857) is (1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol is Cc1ccccc1Sc1ccc([C@H](C)O)cc1Cl.
What is the InChIKey of (1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol?
The InChIKey is LFYUIJSFLMQNNK-NSHDSACASA-N. The full InChI is InChI=1S/C15H15ClOS/c1-10-5-3-4-6-14(10)18-15-8-7-12(11(2)17)9-13(15)16/h3-9,11,17H,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol?
(1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol has a molecular weight of 278.80 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 55239857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).