(2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol

C15H23NO2S — CID 167236991

IUPAC(2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol
SMILESCc1csc2c1c(C(C)C)cn2C(O)OC(C)(C)C
InChIInChI=1S/C15H23NO2S/c1-9(2)11-7-16(14(17)18-15(4,5)6)13-12(11)10(3)8-19-13/h7-9,14,17H,1-6H3
InChIKeyQRNBRHMTQGGLGQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.40
Rot. Bonds3

About (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol

(2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol (PubChem CID 167236991) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol
PubChem CID167236991
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol
SMILESCc1csc2c1c(C(C)C)cn2C(O)OC(C)(C)C
InChIInChI=1S/C15H23NO2S/c1-9(2)11-7-16(14(17)18-15(4,5)6)13-12(11)10(3)8-19-13/h7-9,14,17H,1-6H3
InChIKeyQRNBRHMTQGGLGQ-UHFFFAOYSA-N
XLogP4.40
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol?
The IUPAC name of (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol (CID 167236991) is (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol?
The canonical SMILES for (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol is Cc1csc2c1c(C(C)C)cn2C(O)OC(C)(C)C.
What is the InChIKey of (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol?
The InChIKey is QRNBRHMTQGGLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-9(2)11-7-16(14(17)18-15(4,5)6)13-12(11)10(3)8-19-13/h7-9,14,17H,1-6H3.
What are the key properties of (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol?
(2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol has a molecular weight of 281.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-(3-methyl-4-propan-2-ylthieno[2,3-b]pyrrol-6-yl)methanol is sourced from PubChem (CID 167236991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).