(1R)-1-(2-benzylsulfanylphenyl)ethanol

C15H16OS — CID 63812589

IUPAC(1R)-1-(2-benzylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C15H16OS/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3/t12-/m1/s1
InChIKeyNCOMBQMQUYPOBY-GFCCVEGCSA-N
MW244.36 g/mol
LogP4.03
Rot. Bonds4

About (1R)-1-(2-benzylsulfanylphenyl)ethanol

(1R)-1-(2-benzylsulfanylphenyl)ethanol (PubChem CID 63812589) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is (1R)-1-(2-benzylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-benzylsulfanylphenyl)ethanol
PubChem CID63812589
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name(1R)-1-(2-benzylsulfanylphenyl)ethanol
SMILESC[C@@H](O)c1ccccc1SCc1ccccc1
InChIInChI=1S/C15H16OS/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3/t12-/m1/s1
InChIKeyNCOMBQMQUYPOBY-GFCCVEGCSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]ethanol
CID 114792411
1-benzylsulfanyl-2-propan-2-ylbenzene
CID 54415712
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
CID 103959471
1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol
CID 63814324
1-benzylsulfanyl-2-(2-methylpropyl)benzene
CID 57222449
1-(2-benzylsulfanylphenyl)propan-1-one
CID 112677640
(1R)-1-(2-propan-2-ylsulfanylphenyl)ethanol
CID 78951470
1-[2-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855457
(1S)-1-[2-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855634
(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
CID 124557626
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-benzylsulfanylphenyl)ethanol?
The IUPAC name of (1R)-1-(2-benzylsulfanylphenyl)ethanol (CID 63812589) is (1R)-1-(2-benzylsulfanylphenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-benzylsulfanylphenyl)ethanol?
The canonical SMILES for (1R)-1-(2-benzylsulfanylphenyl)ethanol is C[C@@H](O)c1ccccc1SCc1ccccc1.
What is the InChIKey of (1R)-1-(2-benzylsulfanylphenyl)ethanol?
The InChIKey is NCOMBQMQUYPOBY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16OS/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(2-benzylsulfanylphenyl)ethanol?
(1R)-1-(2-benzylsulfanylphenyl)ethanol has a molecular weight of 244.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-benzylsulfanylphenyl)ethanol is sourced from PubChem (CID 63812589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).