1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol

C11H16O2S — CID 63835748

IUPAC1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol
SMILESCOCCSc1ccc(C(C)O)cc1
InChIInChI=1S/C11H16O2S/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2/h3-6,9,12H,7-8H2,1-2H3
InChIKeyWXCKXGFFGLWHEG-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.48
Rot. Bonds5

About 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol

1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol (PubChem CID 63835748) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol
PubChem CID63835748
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol
SMILESCOCCSc1ccc(C(C)O)cc1
InChIInChI=1S/C11H16O2S/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2/h3-6,9,12H,7-8H2,1-2H3
InChIKeyWXCKXGFFGLWHEG-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methoxyethylsulfanyl)phenyl]methanol
CID 63836171
6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol
CID 107707278
(1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol
CID 79014025
(1R)-1-[4-[(1S)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500385
1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
CID 102543604
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82951638
1-[3-fluoro-4-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63856190
6-[4-(1-hydroxyethyl)phenyl]sulfanyl-2,2-dimethylhexanenitrile
CID 106714624
4-[4-[4-(3-hydroxybutylsulfanyl)phenyl]sulfanylphenyl]sulfanylbutan-2-ol
CID 162715294
1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
CID 166847942
4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline
CID 83002282

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol (CID 63835748) is 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol is COCCSc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol?
The InChIKey is WXCKXGFFGLWHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol?
1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol has a molecular weight of 212.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63835748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).