(1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol

C17H20O3S — CID 82003434

IUPAC(1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCCSc2ccccc2)c1
InChIInChI=1S/C17H20O3S/c1-13(18)16-9-8-14(19-2)12-17(16)20-10-11-21-15-6-4-3-5-7-15/h3-9,12-13,18H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyUQYAVFRXMHRFOV-CYBMUJFWSA-N
MW304.41 g/mol
LogP3.92
Rot. Bonds7

About (1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol

(1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol (PubChem CID 82003434) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol
PubChem CID82003434
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name(1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCCSc2ccccc2)c1
InChIInChI=1S/C17H20O3S/c1-13(18)16-9-8-14(19-2)12-17(16)20-10-11-21-15-6-4-3-5-7-15/h3-9,12-13,18H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyUQYAVFRXMHRFOV-CYBMUJFWSA-N
XLogP3.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 82002752
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
(1S)-1-[4-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 82001017
1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol
CID 65141920

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol (CID 82003434) is (1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol is COc1ccc([C@@H](C)O)c(OCCSc2ccccc2)c1.
What is the InChIKey of (1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol?
The InChIKey is UQYAVFRXMHRFOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20O3S/c1-13(18)16-9-8-14(19-2)12-17(16)20-10-11-21-15-6-4-3-5-7-15/h3-9,12-13,18H,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol?
(1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol has a molecular weight of 304.41 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-(2-phenylsulfanylethoxy)phenyl]ethanol is sourced from PubChem (CID 82003434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).