2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene

C19H20OS — CID 79408103

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene
SMILESc1ccc2c(c1)CC(COC1CCCc3ccccc31)S2
InChIInChI=1S/C19H20OS/c1-3-9-17-14(6-1)8-5-10-18(17)20-13-16-12-15-7-2-4-11-19(15)21-16/h1-4,6-7,9,11,16,18H,5,8,10,12-13H2
InChIKeyWHLKDYUEUCDWQR-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.80
Rot. Bonds3

About 2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene

2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene (PubChem CID 79408103) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene
PubChem CID79408103
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene
SMILESc1ccc2c(c1)CC(COC1CCCc3ccccc31)S2
InChIInChI=1S/C19H20OS/c1-3-9-17-14(6-1)8-5-10-18(17)20-13-16-12-15-7-2-4-11-19(15)21-16/h1-4,6-7,9,11,16,18H,5,8,10,12-13H2
InChIKeyWHLKDYUEUCDWQR-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
2-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79227947
2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)piperidine
CID 54943160
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79229061
2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79322659
2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)ethanamine
CID 79221930
3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-4-methylpiperidine
CID 102954247
[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine
CID 107558127
8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 79228546
1-(2,3-dihydro-1H-inden-1-yloxymethoxy)-2,3-dihydro-1H-indene
CID 70037925
2-(3-phenylpropoxymethyl)-2,3-dihydro-1-benzothiophene
CID 79403171

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene (CID 79408103) is 2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene is c1ccc2c(c1)CC(COC1CCCc3ccccc31)S2.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene?
The InChIKey is WHLKDYUEUCDWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS/c1-3-9-17-14(6-1)8-5-10-18(17)20-13-16-12-15-7-2-4-11-19(15)21-16/h1-4,6-7,9,11,16,18H,5,8,10,12-13H2.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene?
2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene has a molecular weight of 296.44 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 79408103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).