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

C18H20OS — CID 105091347

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)C1CSc2ccccc21
InChIInChI=1S/C18H20OS/c19-17(11-6-9-14-7-2-1-3-8-14)16-13-20-18-12-5-4-10-15(16)18/h1-5,7-8,10,12,16-17,19H,6,9,11,13H2
InChIKeyRIRJGFUPHAMSCN-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.26
Rot. Bonds5

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

1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol (PubChem CID 105091347) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol
PubChem CID105091347
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol
SMILESOC(CCCc1ccccc1)C1CSc2ccccc21
InChIInChI=1S/C18H20OS/c19-17(11-6-9-14-7-2-1-3-8-14)16-13-20-18-12-5-4-10-15(16)18/h1-5,7-8,10,12,16-17,19H,6,9,11,13H2
InChIKeyRIRJGFUPHAMSCN-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105077495
1-(1,4-dithian-2-yl)-4-phenylbutan-1-ol
CID 79972858
2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105086826
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319554
1-(2,3-dihydro-1-benzothiophen-3-yl)heptan-1-amine
CID 105126135
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol
CID 105112552
2-benzyl-3-(2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 79214428
15-phenylpentadecane-1,1-diol
CID 139927269
4-phenylbutylbenzene
CID 141301927
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109800
N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine
CID 105083790

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol (CID 105091347) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol is OC(CCCc1ccccc1)C1CSc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol?
The InChIKey is RIRJGFUPHAMSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c19-17(11-6-9-14-7-2-1-3-8-14)16-13-20-18-12-5-4-10-15(16)18/h1-5,7-8,10,12,16-17,19H,6,9,11,13H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol?
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol has a molecular weight of 284.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-4-phenylbutan-1-ol is sourced from PubChem (CID 105091347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).