(3-methyl-2H-1-benzothiophen-3-yl)methanol

C10H12OS — CID 591023

IUPAC(3-methyl-2H-1-benzothiophen-3-yl)methanol
SMILESCC1(CO)CSc2ccccc21
InChIInChI=1S/C10H12OS/c1-10(6-11)7-12-9-5-3-2-4-8(9)10/h2-5,11H,6-7H2,1H3
InChIKeyUMTZJGFHXYZZMA-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.04
Rot. Bonds1

About (3-methyl-2H-1-benzothiophen-3-yl)methanol

(3-methyl-2H-1-benzothiophen-3-yl)methanol (PubChem CID 591023) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is (3-methyl-2H-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2H-1-benzothiophen-3-yl)methanol
PubChem CID591023
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name(3-methyl-2H-1-benzothiophen-3-yl)methanol
SMILESCC1(CO)CSc2ccccc21
InChIInChI=1S/C10H12OS/c1-10(6-11)7-12-9-5-3-2-4-8(9)10/h2-5,11H,6-7H2,1H3
InChIKeyUMTZJGFHXYZZMA-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-1-benzothiophen-3-yl)methanol?
The IUPAC name of (3-methyl-2H-1-benzothiophen-3-yl)methanol (CID 591023) is (3-methyl-2H-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (3-methyl-2H-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (3-methyl-2H-1-benzothiophen-3-yl)methanol is CC1(CO)CSc2ccccc21.
What is the InChIKey of (3-methyl-2H-1-benzothiophen-3-yl)methanol?
The InChIKey is UMTZJGFHXYZZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-10(6-11)7-12-9-5-3-2-4-8(9)10/h2-5,11H,6-7H2,1H3.
What are the key properties of (3-methyl-2H-1-benzothiophen-3-yl)methanol?
(3-methyl-2H-1-benzothiophen-3-yl)methanol has a molecular weight of 180.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 591023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).