[2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol

C13H15NOS — CID 116828773

IUPAC[2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol
SMILESCSc1ccc(-c2cc(CO)c(C)[nH]2)cc1
InChIInChI=1S/C13H15NOS/c1-9-11(8-15)7-13(14-9)10-3-5-12(16-2)6-4-10/h3-7,14-15H,8H2,1-2H3
InChIKeyYSBCNVRLMLVAJL-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.20
Rot. Bonds3

About [2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol

[2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol (PubChem CID 116828773) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is [2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol
PubChem CID116828773
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name[2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol
SMILESCSc1ccc(-c2cc(CO)c(C)[nH]2)cc1
InChIInChI=1S/C13H15NOS/c1-9-11(8-15)7-13(14-9)10-3-5-12(16-2)6-4-10/h3-7,14-15H,8H2,1-2H3
InChIKeyYSBCNVRLMLVAJL-UHFFFAOYSA-N
XLogP3.20
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol?
The IUPAC name of [2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol (CID 116828773) is [2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for [2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol?
The canonical SMILES for [2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol is CSc1ccc(-c2cc(CO)c(C)[nH]2)cc1.
What is the InChIKey of [2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol?
The InChIKey is YSBCNVRLMLVAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-11(8-15)7-13(14-9)10-3-5-12(16-2)6-4-10/h3-7,14-15H,8H2,1-2H3.
What are the key properties of [2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol?
[2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol has a molecular weight of 233.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 116828773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).