1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol

C19H18OS — CID 115803448

IUPAC1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
SMILESOC(Cc1ccc2c(c1)CCC2)c1cc2ccccc2s1
InChIInChI=1S/C19H18OS/c20-17(19-12-16-4-1-2-7-18(16)21-19)11-13-8-9-14-5-3-6-15(14)10-13/h1-2,4,7-10,12,17,20H,3,5-6,11H2
InChIKeyLXAKJCZGBHAGAK-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.67
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol

1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol (PubChem CID 115803448) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
PubChem CID115803448
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
SMILESOC(Cc1ccc2c(c1)CCC2)c1cc2ccccc2s1
InChIInChI=1S/C19H18OS/c20-17(19-12-16-4-1-2-7-18(16)21-19)11-13-8-9-14-5-3-6-15(14)10-13/h1-2,4,7-10,12,17,20H,3,5-6,11H2
InChIKeyLXAKJCZGBHAGAK-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 114980831
1-(1-benzothiophen-2-yl)-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethanol
CID 177491448
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)-2-bromoethanol
CID 130171136
N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 114909599
1-(1-benzothiophen-2-yl)-2-cyclobutylethanol
CID 115802429
1-(1-benzothiophen-2-yl)-2-thiophen-2-ylethanol
CID 63016384
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-ol
CID 143223012
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-ol
CID 86678604
1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol (CID 115803448) is 1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol is OC(Cc1ccc2c(c1)CCC2)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The InChIKey is LXAKJCZGBHAGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS/c20-17(19-12-16-4-1-2-7-18(16)21-19)11-13-8-9-14-5-3-6-15(14)10-13/h1-2,4,7-10,12,17,20H,3,5-6,11H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol has a molecular weight of 294.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol is sourced from PubChem (CID 115803448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).