4,5-dihydro-1-benzothiophen-6-ylmethanol

C9H10OS — CID 14502005

IUPAC4,5-dihydro-1-benzothiophen-6-ylmethanol
SMILESOCC1=Cc2sccc2CC1
InChIInChI=1S/C9H10OS/c10-6-7-1-2-8-3-4-11-9(8)5-7/h3-5,10H,1-2,6H2
InChIKeyXILLHLUTJFSPFE-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.07
Rot. Bonds1

About 4,5-dihydro-1-benzothiophen-6-ylmethanol

4,5-dihydro-1-benzothiophen-6-ylmethanol (PubChem CID 14502005) has the molecular formula C9H10OS and a molecular weight of 166.25 g/mol. Its IUPAC name is 4,5-dihydro-1-benzothiophen-6-ylmethanol.

Molecular Properties

Compound Name4,5-dihydro-1-benzothiophen-6-ylmethanol
PubChem CID14502005
Molecular FormulaC9H10OS
Molecular Weight166.25 g/mol
Exact Mass166.05
IUPAC Name4,5-dihydro-1-benzothiophen-6-ylmethanol
SMILESOCC1=Cc2sccc2CC1
InChIInChI=1S/C9H10OS/c10-6-7-1-2-8-3-4-11-9(8)5-7/h3-5,10H,1-2,6H2
InChIKeyXILLHLUTJFSPFE-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Ethyl-2-thiophenemethanol
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rac-[(1R,2R)-2-(thiophen-2-yl)cyclopropyl]methanol
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(3-Cyclopropylthiophen-2-yl)methanol
CID 139692372
(2-(Thiophen-2-yl)phenyl)methanol
CID 2795559
4,5,6,7-Tetrahydro-1-benzothien-2-ylmethanol
CID 6624838
4-(Thiophen-2-yl)butan-1-ol
CID 12623862
1-Phenyl-3-(2-thienyl)-2-propyn-1-ol
CID 15829074
(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
CID 92977551
[5-Ethyl-2-(ethylthio)-3-thienyl]methanol
CID 784944
3-Methyl-5-(2-thienyl)pentanol
CID 23272364

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1-benzothiophen-6-ylmethanol?
The IUPAC name of 4,5-dihydro-1-benzothiophen-6-ylmethanol (CID 14502005) is 4,5-dihydro-1-benzothiophen-6-ylmethanol.
What is the SMILES notation for 4,5-dihydro-1-benzothiophen-6-ylmethanol?
The canonical SMILES for 4,5-dihydro-1-benzothiophen-6-ylmethanol is OCC1=Cc2sccc2CC1.
What is the InChIKey of 4,5-dihydro-1-benzothiophen-6-ylmethanol?
The InChIKey is XILLHLUTJFSPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10OS/c10-6-7-1-2-8-3-4-11-9(8)5-7/h3-5,10H,1-2,6H2.
What are the key properties of 4,5-dihydro-1-benzothiophen-6-ylmethanol?
4,5-dihydro-1-benzothiophen-6-ylmethanol has a molecular weight of 166.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1-benzothiophen-6-ylmethanol is sourced from PubChem (CID 14502005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).