1-benzothiophen-3-yl(1H-indol-5-yl)methanol

C17H13NOS — CID 81437486

IUPAC1-benzothiophen-3-yl(1H-indol-5-yl)methanol
SMILESOC(c1ccc2[nH]ccc2c1)c1csc2ccccc12
InChIInChI=1S/C17H13NOS/c19-17(12-5-6-15-11(9-12)7-8-18-15)14-10-20-16-4-2-1-3-13(14)16/h1-10,17-19H
InChIKeyBZMNVUNBIOODDQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.46
Rot. Bonds2

About 1-benzothiophen-3-yl(1H-indol-5-yl)methanol

1-benzothiophen-3-yl(1H-indol-5-yl)methanol (PubChem CID 81437486) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(1H-indol-5-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl(1H-indol-5-yl)methanol
PubChem CID81437486
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name1-benzothiophen-3-yl(1H-indol-5-yl)methanol
SMILESOC(c1ccc2[nH]ccc2c1)c1csc2ccccc12
InChIInChI=1S/C17H13NOS/c19-17(12-5-6-15-11(9-12)7-8-18-15)14-10-20-16-4-2-1-3-13(14)16/h1-10,17-19H
InChIKeyBZMNVUNBIOODDQ-UHFFFAOYSA-N
XLogP4.46
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-5-yl(phenyl)methanol
CID 19042833
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
1-benzothiophen-3-yl-(4-methylphenyl)methanol
CID 61088943
1-benzothiophen-3-yl-(3-chloro-4-iodophenyl)methanol
CID 103210159
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 61087821
1-benzothiophen-3-yl-(3-chloro-4-methylphenyl)methanol
CID 63194986
1-benzothiophen-3-yl-(4-tert-butylphenyl)methanol
CID 63426745
1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol
CID 44610017
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
1-benzothiophen-3-yl-(3-bromo-4-methoxyphenyl)methanol
CID 61088025
1-benzothiophen-3-yl(pyridin-3-yl)methanol
CID 61087457
(4-fluoro-2-methylphenyl)-(1H-indol-5-yl)methanol
CID 81445082

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(1H-indol-5-yl)methanol?
The IUPAC name of 1-benzothiophen-3-yl(1H-indol-5-yl)methanol (CID 81437486) is 1-benzothiophen-3-yl(1H-indol-5-yl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl(1H-indol-5-yl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl(1H-indol-5-yl)methanol is OC(c1ccc2[nH]ccc2c1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl(1H-indol-5-yl)methanol?
The InChIKey is BZMNVUNBIOODDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-17(12-5-6-15-11(9-12)7-8-18-15)14-10-20-16-4-2-1-3-13(14)16/h1-10,17-19H.
What are the key properties of 1-benzothiophen-3-yl(1H-indol-5-yl)methanol?
1-benzothiophen-3-yl(1H-indol-5-yl)methanol has a molecular weight of 279.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(1H-indol-5-yl)methanol is sourced from PubChem (CID 81437486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).