2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol

C13H18OS — CID 117203047

IUPAC2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol
SMILESCC1CSc2cccc(CC(C)(C)O)c21
InChIInChI=1S/C13H18OS/c1-9-8-15-11-6-4-5-10(12(9)11)7-13(2,3)14/h4-6,9,14H,7-8H2,1-3H3
InChIKeyUTOSUPUHDXCHTQ-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.21
Rot. Bonds2

About 2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol

2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol (PubChem CID 117203047) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol
PubChem CID117203047
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol
SMILESCC1CSc2cccc(CC(C)(C)O)c21
InChIInChI=1S/C13H18OS/c1-9-8-15-11-6-4-5-10(12(9)11)7-13(2,3)14/h4-6,9,14H,7-8H2,1-3H3
InChIKeyUTOSUPUHDXCHTQ-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanamine
CID 117203072
3,4-dimethyl-2,3-dihydro-1-benzothiophene
CID 23165633
2-(4-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
CID 117199815
1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)ethanol
CID 117203035
3-(2-hydroxy-2-methylpropyl)-2-methylphenol
CID 154515980
2,2-dimethyl-3-(3-methyl-2,3-dihydro-1-benzothiophen-7-yl)propanoic acid
CID 117204202
3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117200332
3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117200294
3-tert-butyl-5-ethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84628238
3-(4-bromo-2,3-dihydro-1-benzothiophen-3-yl)-2,2-dimethylpropanoic acid
CID 117199877
2-(4-bromo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 117199847
5-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84619205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol (CID 117203047) is 2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol is CC1CSc2cccc(CC(C)(C)O)c21.
What is the InChIKey of 2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol?
The InChIKey is UTOSUPUHDXCHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-9-8-15-11-6-4-5-10(12(9)11)7-13(2,3)14/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol?
2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol has a molecular weight of 222.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol is sourced from PubChem (CID 117203047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).