1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol

C19H18OS — CID 107127375

IUPAC1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESOC(c1csc2ccccc12)C1CCc2ccccc2C1
InChIInChI=1S/C19H18OS/c20-19(17-12-21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-8,12,15,19-20H,9-11H2
InChIKeyUMWHREJNJXLIGO-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.74
Rot. Bonds2

About 1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol

1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol (PubChem CID 107127375) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
PubChem CID107127375
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
SMILESOC(c1csc2ccccc12)C1CCc2ccccc2C1
InChIInChI=1S/C19H18OS/c20-19(17-12-21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-8,12,15,19-20H,9-11H2
InChIKeyUMWHREJNJXLIGO-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-3-yl-(1,1-dioxothiolan-3-yl)methanol
CID 64906431
1-benzothiophen-3-yl(2-bicyclo[2.2.1]heptanyl)methanol
CID 61363792
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107512915
(5-bromo-2-methylthiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107127395
(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
CID 171224597
(2-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65410998
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
1-benzothiophen-3-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 61087821
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
3-[bromo(cyclooctyl)methyl]-1-benzothiophene
CID 65020600
3-(1-chloro-2-cyclopropylethyl)-1-benzothiophene
CID 63432700
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The IUPAC name of 1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol (CID 107127375) is 1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol.
What is the SMILES notation for 1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The canonical SMILES for 1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol is OC(c1csc2ccccc12)C1CCc2ccccc2C1.
What is the InChIKey of 1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
The InChIKey is UMWHREJNJXLIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS/c20-19(17-12-21-18-8-4-3-7-16(17)18)15-10-9-13-5-1-2-6-14(13)11-15/h1-8,12,15,19-20H,9-11H2.
What are the key properties of 1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol?
1-benzothiophen-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol has a molecular weight of 294.42 g/mol, XLogP of 4.74, 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(1,2,3,4-tetrahydronaphthalen-2-yl)methanol is sourced from PubChem (CID 107127375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).