2-ethoxy-1-phenylsulfanylethanol

C10H14O2S — CID 71398646

IUPAC2-ethoxy-1-phenylsulfanylethanol
SMILESCCOCC(O)Sc1ccccc1
InChIInChI=1S/C10H14O2S/c1-2-12-8-10(11)13-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyROVXLAIMTUZWME-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.13
Rot. Bonds5

About 2-ethoxy-1-phenylsulfanylethanol

2-ethoxy-1-phenylsulfanylethanol (PubChem CID 71398646) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-ethoxy-1-phenylsulfanylethanol.

Molecular Properties

Compound Name2-ethoxy-1-phenylsulfanylethanol
PubChem CID71398646
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-ethoxy-1-phenylsulfanylethanol
SMILESCCOCC(O)Sc1ccccc1
InChIInChI=1S/C10H14O2S/c1-2-12-8-10(11)13-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3
InChIKeyROVXLAIMTUZWME-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-2-phenylsulfanylacetate
CID 101019068
1-ethoxy-3-phenylsulfanylpropan-2-amine
CID 79573957
2-ethoxyethyl 2-phenylsulfanylpropanoate
CID 78832473
1-ethoxypropan-2-ol;1-phenoxypropan-2-ol
CID 70813597
1-ethoxy-1-phenylsulfanylpropan-2-one
CID 12622843
ethyl 2-amino-2-phenylsulfanylacetate
CID 53443199
(E,2R,5R)-5-phenylsulfanylhept-3-en-2-ol
CID 11470099
ethyl 2-methoxy-2-phenylsulfanylacetate
CID 15710955
N-(3-ethoxypropyl)-2-phenylsulfanylpropanamide
CID 3584948
2-(1-ethoxypropan-2-yloxy)-1-phenylethanol
CID 103489701
3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol
CID 175226150
(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol
CID 46210919

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-phenylsulfanylethanol?
The IUPAC name of 2-ethoxy-1-phenylsulfanylethanol (CID 71398646) is 2-ethoxy-1-phenylsulfanylethanol.
What is the SMILES notation for 2-ethoxy-1-phenylsulfanylethanol?
The canonical SMILES for 2-ethoxy-1-phenylsulfanylethanol is CCOCC(O)Sc1ccccc1.
What is the InChIKey of 2-ethoxy-1-phenylsulfanylethanol?
The InChIKey is ROVXLAIMTUZWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-2-12-8-10(11)13-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3.
What are the key properties of 2-ethoxy-1-phenylsulfanylethanol?
2-ethoxy-1-phenylsulfanylethanol has a molecular weight of 198.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-phenylsulfanylethanol is sourced from PubChem (CID 71398646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).