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

C18H16OS — CID 61087821

IUPAC1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCC2)c1csc2ccccc12
InChIInChI=1S/C18H16OS/c19-18(14-9-8-12-4-3-5-13(12)10-14)16-11-20-17-7-2-1-6-15(16)17/h1-2,6-11,18-19H,3-5H2
InChIKeyKCJWMGYKZSISKL-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.47
Rot. Bonds2

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

1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol (PubChem CID 61087821) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
PubChem CID61087821
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCC2)c1csc2ccccc12
InChIInChI=1S/C18H16OS/c19-18(14-9-8-12-4-3-5-13(12)10-14)16-11-20-17-7-2-1-6-15(16)17/h1-2,6-11,18-19H,3-5H2
InChIKeyKCJWMGYKZSISKL-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
1-benzothiophen-3-yl-(4-methylphenyl)methanol
CID 61088943
1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115864884
1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol
CID 103210159
1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
CID 63194986
1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
CID 63426745
1-benzothiophen-3-yl(1H-indol-5-yl)methanol
CID 81437486
2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol
CID 79217290
1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol
CID 61088373
1-benzothiophen-3-yl-(3-bromo-4-methoxyphenyl)methanol
CID 61088025
3-[chloro(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]-1-benzothiophene
CID 63433097
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol?
The IUPAC name of 1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol (CID 61087821) is 1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol is OC(c1ccc2c(c1)CCC2)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol?
The InChIKey is KCJWMGYKZSISKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c19-18(14-9-8-12-4-3-5-13(12)10-14)16-11-20-17-7-2-1-6-15(16)17/h1-2,6-11,18-19H,3-5H2.
What are the key properties of 1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol?
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol has a molecular weight of 280.39 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol is sourced from PubChem (CID 61087821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).