2-(ethenylsulfanylmethyl)-4-methoxyphenol

C10H12O2S — CID 170137534

IUPAC2-(ethenylsulfanylmethyl)-4-methoxyphenol
SMILESC=CSCc1cc(OC)ccc1O
InChIInChI=1S/C10H12O2S/c1-3-13-7-8-6-9(12-2)4-5-10(8)11/h3-6,11H,1,7H2,2H3
InChIKeyIQBCIKMDHHUFTF-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.78
Rot. Bonds4

About 2-(ethenylsulfanylmethyl)-4-methoxyphenol

2-(ethenylsulfanylmethyl)-4-methoxyphenol (PubChem CID 170137534) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(ethenylsulfanylmethyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(ethenylsulfanylmethyl)-4-methoxyphenol
PubChem CID170137534
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-(ethenylsulfanylmethyl)-4-methoxyphenol
SMILESC=CSCc1cc(OC)ccc1O
InChIInChI=1S/C10H12O2S/c1-3-13-7-8-6-9(12-2)4-5-10(8)11/h3-6,11H,1,7H2,2H3
InChIKeyIQBCIKMDHHUFTF-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethenoxymethyl)-4-methoxyphenol
CID 45091276
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
(2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide
CID 56773565
5-methoxy-2-prop-2-enylphenol
CID 6424515
4-(4-methoxyphenyl)-2-prop-2-enylphenol
CID 54757995
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
3-(2-hydroxy-5-methoxyphenyl)propanenitrile
CID 130773609
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580
4-methoxy-2-[(2-prop-2-enylsulfanylanilino)methyl]phenol
CID 60927118
4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673

Frequently Asked Questions

What is the IUPAC name of 2-(ethenylsulfanylmethyl)-4-methoxyphenol?
The IUPAC name of 2-(ethenylsulfanylmethyl)-4-methoxyphenol (CID 170137534) is 2-(ethenylsulfanylmethyl)-4-methoxyphenol.
What is the SMILES notation for 2-(ethenylsulfanylmethyl)-4-methoxyphenol?
The canonical SMILES for 2-(ethenylsulfanylmethyl)-4-methoxyphenol is C=CSCc1cc(OC)ccc1O.
What is the InChIKey of 2-(ethenylsulfanylmethyl)-4-methoxyphenol?
The InChIKey is IQBCIKMDHHUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-3-13-7-8-6-9(12-2)4-5-10(8)11/h3-6,11H,1,7H2,2H3.
What are the key properties of 2-(ethenylsulfanylmethyl)-4-methoxyphenol?
2-(ethenylsulfanylmethyl)-4-methoxyphenol has a molecular weight of 196.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylsulfanylmethyl)-4-methoxyphenol is sourced from PubChem (CID 170137534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).