(3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

C13H17NOS — CID 63926882

IUPAC(3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1ccsc1C(O)c1[nH]c(C)c(C)c1C
InChIInChI=1S/C13H17NOS/c1-7-5-6-16-13(7)12(15)11-9(3)8(2)10(4)14-11/h5-6,12,14-15H,1-4H3
InChIKeyWZHOJMVCQURQOX-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.39
Rot. Bonds2

About (3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol

(3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (PubChem CID 63926882) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
PubChem CID63926882
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name(3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
SMILESCc1ccsc1C(O)c1[nH]c(C)c(C)c1C
InChIInChI=1S/C13H17NOS/c1-7-5-6-16-13(7)12(15)11-9(3)8(2)10(4)14-11/h5-6,12,14-15H,1-4H3
InChIKeyWZHOJMVCQURQOX-UHFFFAOYSA-N
XLogP3.39
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The IUPAC name of (3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol (CID 63926882) is (3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The canonical SMILES for (3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is Cc1ccsc1C(O)c1[nH]c(C)c(C)c1C.
What is the InChIKey of (3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
The InChIKey is WZHOJMVCQURQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-7-5-6-16-13(7)12(15)11-9(3)8(2)10(4)14-11/h5-6,12,14-15H,1-4H3.
What are the key properties of (3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol?
(3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol has a molecular weight of 235.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 63926882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).