(3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol

C10H12OS — CID 89305727

IUPAC(3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol
SMILESCC1c2ccccc2SC1CO
InChIInChI=1S/C10H12OS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5,7,10-11H,6H2,1H3
InChIKeyGGLRLYJTSKBKLB-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.26
Rot. Bonds1

About (3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol

(3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol (PubChem CID 89305727) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is (3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol
PubChem CID89305727
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name(3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol
SMILESCC1c2ccccc2SC1CO
InChIInChI=1S/C10H12OS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5,7,10-11H,6H2,1H3
InChIKeyGGLRLYJTSKBKLB-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol (CID 89305727) is (3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol is CC1c2ccccc2SC1CO.
What is the InChIKey of (3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol?
The InChIKey is GGLRLYJTSKBKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5,7,10-11H,6H2,1H3.
What are the key properties of (3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol?
(3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol has a molecular weight of 180.27 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3-dihydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 89305727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).