(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol

C15H16O2S — CID 78952059

IUPAC(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
SMILESCOc1ccc(Sc2ccccc2[C@@H](C)O)cc1
InChIInChI=1S/C15H16O2S/c1-11(16)14-5-3-4-6-15(14)18-13-9-7-12(17-2)8-10-13/h3-11,16H,1-2H3/t11-/m1/s1
InChIKeyUZGMNETVJOIVDF-LLVKDONJSA-N
MW260.36 g/mol
LogP3.90
Rot. Bonds4

About (1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol

(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol (PubChem CID 78952059) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is (1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
PubChem CID78952059
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
SMILESCOc1ccc(Sc2ccccc2[C@@H](C)O)cc1
InChIInChI=1S/C15H16O2S/c1-11(16)14-5-3-4-6-15(14)18-13-9-7-12(17-2)8-10-13/h3-11,16H,1-2H3/t11-/m1/s1
InChIKeyUZGMNETVJOIVDF-LLVKDONJSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
CID 15115029
(1S)-1-[5-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 63813093
1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 82972730
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814608
1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057131
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951725
N-ethyl-1-[2-(4-methoxyphenyl)sulfanylphenyl]propan-1-amine
CID 115995781
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol (CID 78952059) is (1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol is COc1ccc(Sc2ccccc2[C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol?
The InChIKey is UZGMNETVJOIVDF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11(16)14-5-3-4-6-15(14)18-13-9-7-12(17-2)8-10-13/h3-11,16H,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol?
(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol has a molecular weight of 260.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 78952059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).