(7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol

C12H14OS — CID 131196624

IUPAC(7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol
SMILESCCc1c(C)ccc2c(CO)csc12
InChIInChI=1S/C12H14OS/c1-3-10-8(2)4-5-11-9(6-13)7-14-12(10)11/h4-5,7,13H,3,6H2,1-2H3
InChIKeyYXMODSZCJPDXAD-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.26
Rot. Bonds2

About (7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol

(7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol (PubChem CID 131196624) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is (7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol
PubChem CID131196624
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name(7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol
SMILESCCc1c(C)ccc2c(CO)csc12
InChIInChI=1S/C12H14OS/c1-3-10-8(2)4-5-11-9(6-13)7-14-12(10)11/h4-5,7,13H,3,6H2,1-2H3
InChIKeyYXMODSZCJPDXAD-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol?
The IUPAC name of (7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol (CID 131196624) is (7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol is CCc1c(C)ccc2c(CO)csc12.
What is the InChIKey of (7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol?
The InChIKey is YXMODSZCJPDXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-3-10-8(2)4-5-11-9(6-13)7-14-12(10)11/h4-5,7,13H,3,6H2,1-2H3.
What are the key properties of (7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol?
(7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol has a molecular weight of 206.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-6-methyl-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 131196624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).