2-methoxy-4-(1-methylsulfanylethyl)phenol

C10H14O2S — CID 86126303

IUPAC2-methoxy-4-(1-methylsulfanylethyl)phenol
SMILESCOc1cc(C(C)SC)ccc1O
InChIInChI=1S/C10H14O2S/c1-7(13-3)8-4-5-9(11)10(6-8)12-2/h4-7,11H,1-3H3
InChIKeyKBJBJMBMTKVZEL-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.82
Rot. Bonds3

About 2-methoxy-4-(1-methylsulfanylethyl)phenol

2-methoxy-4-(1-methylsulfanylethyl)phenol (PubChem CID 86126303) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methoxy-4-(1-methylsulfanylethyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(1-methylsulfanylethyl)phenol
PubChem CID86126303
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-methoxy-4-(1-methylsulfanylethyl)phenol
SMILESCOc1cc(C(C)SC)ccc1O
InChIInChI=1S/C10H14O2S/c1-7(13-3)8-4-5-9(11)10(6-8)12-2/h4-7,11H,1-3H3
InChIKeyKBJBJMBMTKVZEL-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene
CID 149183279
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-hexan-2-yl-2-methoxyphenol
CID 10285881
4-[amino(methoxy)methyl]-2-methoxyphenol
CID 89378154
4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
CID 58361160
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-methylsulfanylethyl)phenol?
The IUPAC name of 2-methoxy-4-(1-methylsulfanylethyl)phenol (CID 86126303) is 2-methoxy-4-(1-methylsulfanylethyl)phenol.
What is the SMILES notation for 2-methoxy-4-(1-methylsulfanylethyl)phenol?
The canonical SMILES for 2-methoxy-4-(1-methylsulfanylethyl)phenol is COc1cc(C(C)SC)ccc1O.
What is the InChIKey of 2-methoxy-4-(1-methylsulfanylethyl)phenol?
The InChIKey is KBJBJMBMTKVZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7(13-3)8-4-5-9(11)10(6-8)12-2/h4-7,11H,1-3H3.
What are the key properties of 2-methoxy-4-(1-methylsulfanylethyl)phenol?
2-methoxy-4-(1-methylsulfanylethyl)phenol has a molecular weight of 198.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-methylsulfanylethyl)phenol is sourced from PubChem (CID 86126303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).