[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol

C9H10OS — CID 124511720

IUPAC[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
SMILESOC[C@@H]1CSc2ccccc21
InChIInChI=1S/C9H10OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2/t7-/m1/s1
InChIKeyNFQJRLBCTTZPGY-SSDOTTSWSA-N
MW166.25 g/mol
LogP1.87
Rot. Bonds1

About [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol

[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol (PubChem CID 124511720) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
PubChem CID124511720
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
SMILESOC[C@@H]1CSc2ccccc21
InChIInChI=1S/C9H10OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2/t7-/m1/s1
InChIKeyNFQJRLBCTTZPGY-SSDOTTSWSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-1-ol
CID 79220922
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 79221064
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)azepan-2-yl]methanol
CID 116637161
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol
CID 79225995
2-(2-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-3-yl)propan-1-ol
CID 79454216
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
CID 19081469
2-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfanyl)ethanamine
CID 79221485
3-(3-chlorobutyl)-2,3-dihydro-1-benzothiophene
CID 79221601
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methylethanamine
CID 79226851

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol?
The IUPAC name of [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol (CID 124511720) is [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol.
What is the SMILES notation for [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol?
The canonical SMILES for [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol is OC[C@@H]1CSc2ccccc21.
What is the InChIKey of [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol?
The InChIKey is NFQJRLBCTTZPGY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,7,10H,5-6H2/t7-/m1/s1.
What are the key properties of [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol?
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol has a molecular weight of 166.25 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol is sourced from PubChem (CID 124511720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).