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

C14H17NOS — CID 116828775

IUPAC[5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol
SMILESCCSc1ccc(-c2cc(CO)c(C)[nH]2)cc1
InChIInChI=1S/C14H17NOS/c1-3-17-13-6-4-11(5-7-13)14-8-12(9-16)10(2)15-14/h4-8,15-16H,3,9H2,1-2H3
InChIKeyNOGPUXYOFAOSBL-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.59
Rot. Bonds4

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

[5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol (PubChem CID 116828775) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is [5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol
PubChem CID116828775
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name[5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol
SMILESCCSc1ccc(-c2cc(CO)c(C)[nH]2)cc1
InChIInChI=1S/C14H17NOS/c1-3-17-13-6-4-11(5-7-13)14-8-12(9-16)10(2)15-14/h4-8,15-16H,3,9H2,1-2H3
InChIKeyNOGPUXYOFAOSBL-UHFFFAOYSA-N
XLogP3.59
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol?
The IUPAC name of [5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol (CID 116828775) is [5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for [5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol?
The canonical SMILES for [5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol is CCSc1ccc(-c2cc(CO)c(C)[nH]2)cc1.
What is the InChIKey of [5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol?
The InChIKey is NOGPUXYOFAOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-17-13-6-4-11(5-7-13)14-8-12(9-16)10(2)15-14/h4-8,15-16H,3,9H2,1-2H3.
What are the key properties of [5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol?
[5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol has a molecular weight of 247.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylsulfanylphenyl)-2-methyl-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 116828775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).