1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol

C16H18OS — CID 61363792

IUPAC1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol
SMILESOC(c1csc2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C16H18OS/c17-16(13-8-10-5-6-11(13)7-10)14-9-18-15-4-2-1-3-12(14)15/h1-4,9-11,13,16-17H,5-8H2
InChIKeyZQTLIMHIVZSWNE-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.37
Rot. Bonds2

About 1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol

1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol (PubChem CID 61363792) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol
PubChem CID61363792
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol
SMILESOC(c1csc2ccccc12)C1CC2CCC1C2
InChIInChI=1S/C16H18OS/c17-16(13-8-10-5-6-11(13)7-10)14-9-18-15-4-2-1-3-12(14)15/h1-4,9-11,13,16-17H,5-8H2
InChIKeyZQTLIMHIVZSWNE-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-benzothiophene-3-carboxamide
CID 98272034
[1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethyl]hydrazine
CID 105323555
1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)-N-methylethanamine
CID 43485837
1-benzothiophen-3-yl-(1,1-dioxothiolan-3-yl)methanol
CID 64906431
1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107127375
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol
CID 63426600
2-bicyclo[2.2.1]heptanyl-(2,5-dibromothiophen-3-yl)methanol
CID 63426688
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-(2-bicyclo[2.2.1]heptanyl)-1-(7-bromo-1-benzothiophen-3-yl)-N-methylmethanamine
CID 81133126
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668
(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
CID 171224597

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol?
The IUPAC name of 1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol (CID 61363792) is 1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol is OC(c1csc2ccccc12)C1CC2CCC1C2.
What is the InChIKey of 1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol?
The InChIKey is ZQTLIMHIVZSWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c17-16(13-8-10-5-6-11(13)7-10)14-9-18-15-4-2-1-3-12(14)15/h1-4,9-11,13,16-17H,5-8H2.
What are the key properties of 1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol?
1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol has a molecular weight of 258.39 g/mol, XLogP of 4.37, 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-bicyclo[2.2.1]heptanyl)methanol is sourced from PubChem (CID 61363792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).