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

C15H20O2S — CID 114535590

IUPAC[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol
SMILESCC1OCCC1(CO)CC1CSc2ccccc21
InChIInChI=1S/C15H20O2S/c1-11-15(10-16,6-7-17-11)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,11-12,16H,6-10H2,1H3
InChIKeyZJZJWGQOTMFVTF-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.05
Rot. Bonds3

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

[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol (PubChem CID 114535590) 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)-2-methyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol
PubChem CID114535590
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol
SMILESCC1OCCC1(CO)CC1CSc2ccccc21
InChIInChI=1S/C15H20O2S/c1-11-15(10-16,6-7-17-11)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,11-12,16H,6-10H2,1H3
InChIKeyZJZJWGQOTMFVTF-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol?
The IUPAC name of [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol (CID 114535590) is [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol.
What is the SMILES notation for [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol?
The canonical SMILES for [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol is CC1OCCC1(CO)CC1CSc2ccccc21.
What is the InChIKey of [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol?
The InChIKey is ZJZJWGQOTMFVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-11-15(10-16,6-7-17-11)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,11-12,16H,6-10H2,1H3.
What are the key properties of [3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol?
[3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methyloxolan-3-yl]methanol has a molecular weight of 264.39 g/mol, XLogP of 3.05, 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)-2-methyloxolan-3-yl]methanol is sourced from PubChem (CID 114535590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).