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

C15H20O2S — CID 103718589

IUPAC[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol
SMILESOCC1(CC2CSc3ccccc32)CCCOC1
InChIInChI=1S/C15H20O2S/c16-10-15(6-3-7-17-11-15)8-12-9-18-14-5-2-1-4-13(12)14/h1-2,4-5,12,16H,3,6-11H2
InChIKeyKVIDPXJNGTWLFX-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.06
Rot. Bonds3

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

[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol (PubChem CID 103718589) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol
PubChem CID103718589
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol
SMILESOCC1(CC2CSc3ccccc32)CCCOC1
InChIInChI=1S/C15H20O2S/c16-10-15(6-3-7-17-11-15)8-12-9-18-14-5-2-1-4-13(12)14/h1-2,4-5,12,16H,3,6-11H2
InChIKeyKVIDPXJNGTWLFX-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-4-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxane
CID 79226239
[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol
CID 114535590
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 79215623
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 79215728
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79218173
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexane-1-carboxylic acid
CID 79226557
[1-[(2,3-dihydro-1-benzothiophen-3-ylamino)methyl]cyclohexyl]methanol
CID 112551302
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 115362476
[2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 104509416
[1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-4-methylcyclohexyl]methanol
CID 79220776
[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine
CID 103718556

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol?
The IUPAC name of [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol (CID 103718589) is [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol.
What is the SMILES notation for [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol?
The canonical SMILES for [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol is OCC1(CC2CSc3ccccc32)CCCOC1.
What is the InChIKey of [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol?
The InChIKey is KVIDPXJNGTWLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c16-10-15(6-3-7-17-11-15)8-12-9-18-14-5-2-1-4-13(12)14/h1-2,4-5,12,16H,3,6-11H2.
What are the key properties of [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol?
[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol has a molecular weight of 264.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxan-3-yl]methanol is sourced from PubChem (CID 103718589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).