ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol

C16H20O3S — CID 67801086

IUPACethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol
SMILESCCOCC.Oc1ccccc1Sc1ccccc1O
InChIInChI=1S/C12H10O2S.C4H10O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;1-3-5-4-2/h1-8,13-14H;3-4H2,1-2H3
InChIKeyZBXSPQCQYCKCPG-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.29
Rot. Bonds4

About ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol

ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol (PubChem CID 67801086) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol.

Molecular Properties

Compound Nameethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol
PubChem CID67801086
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Nameethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol
SMILESCCOCC.Oc1ccccc1Sc1ccccc1O
InChIInChI=1S/C12H10O2S.C4H10O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;1-3-5-4-2/h1-8,13-14H;3-4H2,1-2H3
InChIKeyZBXSPQCQYCKCPG-UHFFFAOYSA-N
XLogP4.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxysulfanylphenol
CID 20674240
2-(2-chlorophenyl)sulfanylphenol
CID 20513469
[2-(2-hydroxyphenyl)sulfanylphenyl]methyl-dimethylazanium
CID 6947704
2-(triethylsilylmethylsulfanyl)phenol
CID 67587312
ethoxyethane;triphenylmethanol
CID 70428584
2-tetracosylsulfanylphenol
CID 139712021
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
CID 62028773
ethanol;ethoxyethane;2-hydroxybenzoic acid
CID 69130253
1,2-dichlorobenzene;ethoxyethane
CID 68845412
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
2-[2-(3-methoxypropoxy)ethylsulfanyl]phenol
CID 103182103

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol?
The IUPAC name of ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol (CID 67801086) is ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol.
What is the SMILES notation for ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol?
The canonical SMILES for ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol is CCOCC.Oc1ccccc1Sc1ccccc1O.
What is the InChIKey of ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol?
The InChIKey is ZBXSPQCQYCKCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S.C4H10O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;1-3-5-4-2/h1-8,13-14H;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol?
ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol has a molecular weight of 292.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-(2-hydroxyphenyl)sulfanylphenol is sourced from PubChem (CID 67801086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).