2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol

C12H14OS — CID 117120003

IUPAC2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol
SMILESCc1cccc2sc(C(C)CO)cc12
InChIInChI=1S/C12H14OS/c1-8-4-3-5-11-10(8)6-12(14-11)9(2)7-13/h3-6,9,13H,7H2,1-2H3
InChIKeyIYUBIPDHMMSSRL-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.31
Rot. Bonds2

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

2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol (PubChem CID 117120003) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol
PubChem CID117120003
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol
SMILESCc1cccc2sc(C(C)CO)cc12
InChIInChI=1S/C12H14OS/c1-8-4-3-5-11-10(8)6-12(14-11)9(2)7-13/h3-6,9,13H,7H2,1-2H3
InChIKeyIYUBIPDHMMSSRL-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol?
The IUPAC name of 2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol (CID 117120003) is 2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol is Cc1cccc2sc(C(C)CO)cc12.
What is the InChIKey of 2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol?
The InChIKey is IYUBIPDHMMSSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-8-4-3-5-11-10(8)6-12(14-11)9(2)7-13/h3-6,9,13H,7H2,1-2H3.
What are the key properties of 2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol?
2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol has a molecular weight of 206.31 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 117120003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).