2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol

C12H14OS — CID 117120694

IUPAC2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol
SMILESCc1ccc2scc(C(C)(C)O)c2c1
InChIInChI=1S/C12H14OS/c1-8-4-5-11-9(6-8)10(7-14-11)12(2,3)13/h4-7,13H,1-3H3
InChIKeyAANSVXICYMFYHT-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.44
Rot. Bonds1

About 2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol

2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol (PubChem CID 117120694) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol
PubChem CID117120694
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol
SMILESCc1ccc2scc(C(C)(C)O)c2c1
InChIInChI=1S/C12H14OS/c1-8-4-5-11-9(6-8)10(7-14-11)12(2,3)13/h4-7,13H,1-3H3
InChIKeyAANSVXICYMFYHT-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-propan-2-yl-1-benzothiophene
CID 118151187
5-methyl-1-benzothiophene-3-thiol
CID 142071872
methyl-(5-methyl-1-benzothiophen-3-yl)borinic acid
CID 58343955
3-(ethylsulfanylmethyl)-5-methyl-1-benzothiophene
CID 117185080
2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 58514695
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 59095314
2-(5-methyl-1-benzothiophen-3-yl)acetonitrile
CID 738617
ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 144773818
5-methyl-3-(methylsulfonylmethyl)-1-benzothiophene
CID 117185057
2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone
CID 14288885
4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine
CID 117185055
2-(5-methyl-1-benzothiophen-3-yl)heptan-1-amine
CID 19597995

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol?
The IUPAC name of 2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol (CID 117120694) is 2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol.
What is the SMILES notation for 2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol?
The canonical SMILES for 2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol is Cc1ccc2scc(C(C)(C)O)c2c1.
What is the InChIKey of 2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol?
The InChIKey is AANSVXICYMFYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-8-4-5-11-9(6-8)10(7-14-11)12(2,3)13/h4-7,13H,1-3H3.
What are the key properties of 2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol?
2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol has a molecular weight of 206.31 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol is sourced from PubChem (CID 117120694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).