2-(2-hydroxyethylsulfanyl)-4-methoxyphenol

C9H12O3S — CID 86108136

IUPAC2-(2-hydroxyethylsulfanyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(SCCO)c1
InChIInChI=1S/C9H12O3S/c1-12-7-2-3-8(11)9(6-7)13-5-4-10/h2-3,6,10-11H,4-5H2,1H3
InChIKeyJRLWAQYIKHEHPD-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.49
Rot. Bonds4

About 2-(2-hydroxyethylsulfanyl)-4-methoxyphenol

2-(2-hydroxyethylsulfanyl)-4-methoxyphenol (PubChem CID 86108136) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-4-methoxyphenol
PubChem CID86108136
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name2-(2-hydroxyethylsulfanyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(SCCO)c1
InChIInChI=1S/C9H12O3S/c1-12-7-2-3-8(11)9(6-7)13-5-4-10/h2-3,6,10-11H,4-5H2,1H3
InChIKeyJRLWAQYIKHEHPD-UHFFFAOYSA-N
XLogP1.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxysulfanyl-4-methoxyphenol
CID 143396910
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
6-(2-amino-5-methoxyphenyl)sulfanylhexan-1-ol
CID 107703997
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55264441
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-[(2,4-dimethoxyphenyl)-(2-hydroxyethylsulfanyl)methyl]sulfanylethanol
CID 102497342
2-(7-methoxyquinoxalin-2-yl)sulfanylethanol
CID 66746258
2-(ethenoxymethyl)-4-methoxyphenol
CID 45091276
2-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]ethyl]-4-methoxyphenol
CID 104582333
4-methoxy-2-(1-methylpyrrol-2-yl)sulfanylphenol
CID 102203770
2-[(2,5-dimethoxyphenyl)methylsulfanyl]phenol
CID 62000126
2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
CID 64612734

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-4-methoxyphenol?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-4-methoxyphenol (CID 86108136) is 2-(2-hydroxyethylsulfanyl)-4-methoxyphenol.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-4-methoxyphenol?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-4-methoxyphenol is COc1ccc(O)c(SCCO)c1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-4-methoxyphenol?
The InChIKey is JRLWAQYIKHEHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-12-7-2-3-8(11)9(6-7)13-5-4-10/h2-3,6,10-11H,4-5H2,1H3.
What are the key properties of 2-(2-hydroxyethylsulfanyl)-4-methoxyphenol?
2-(2-hydroxyethylsulfanyl)-4-methoxyphenol has a molecular weight of 200.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-4-methoxyphenol is sourced from PubChem (CID 86108136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).