1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol

C16H22O2S — CID 105104857

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)C1Cc2ccccc2S1
InChIInChI=1S/C16H22O2S/c17-14(8-3-6-13-7-4-10-18-13)16-11-12-5-1-2-9-15(12)19-16/h1-2,5,9,13-14,16-17H,3-4,6-8,10-11H2
InChIKeyKOMXVRAMFOBGTD-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.41
Rot. Bonds5

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol

1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol (PubChem CID 105104857) has the molecular formula C16H22O2S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol
PubChem CID105104857
Molecular FormulaC16H22O2S
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol
SMILESOC(CCCC1CCCO1)C1Cc2ccccc2S1
InChIInChI=1S/C16H22O2S/c17-14(8-3-6-13-7-4-10-18-13)16-11-12-5-1-2-9-15(12)19-16/h1-2,5,9,13-14,16-17H,3-4,6-8,10-11H2
InChIKeyKOMXVRAMFOBGTD-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol 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

1-(2,3-dihydro-1-benzothiophen-2-yl)undecan-1-ol
CID 105089949
4-(oxolan-2-yl)-1-(1-phenylcyclopropyl)butan-1-ol
CID 65167277
1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
6-(oxolan-2-yl)-2-phenylhexan-3-ol
CID 65162298
1-(2,6-dichlorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65162393
1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol
CID 115808964
1-methoxy-5-(oxolan-2-yl)-1-phenylpentan-2-ol
CID 116756915
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 105156538
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol
CID 105108065
2-[3-(oxolan-2-yl)propylamino]-1-phenylethanol
CID 65164044
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65410695

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol (CID 105104857) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol is OC(CCCC1CCCO1)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol?
The InChIKey is KOMXVRAMFOBGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2S/c17-14(8-3-6-13-7-4-10-18-13)16-11-12-5-1-2-9-15(12)19-16/h1-2,5,9,13-14,16-17H,3-4,6-8,10-11H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol?
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol has a molecular weight of 278.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-(oxolan-2-yl)butan-1-ol is sourced from PubChem (CID 105104857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).