2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C19H20OS — CID 79229061

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccccc2CCC1CC1Cc2ccccc2S1
InChIInChI=1S/C19H20OS/c20-19-15(10-9-13-5-1-3-7-17(13)19)12-16-11-14-6-2-4-8-18(14)21-16/h1-8,15-16,19-20H,9-12H2
InChIKeyMHUJMCMRLNCEDY-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.39
Rot. Bonds2

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 79229061) has the molecular formula C19H20OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID79229061
Molecular FormulaC19H20OS
Molecular Weight296.44 g/mol
Exact Mass296.12
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1c2ccccc2CCC1CC1Cc2ccccc2S1
InChIInChI=1S/C19H20OS/c20-19-15(10-9-13-5-1-3-7-17(13)19)12-16-11-14-6-2-4-8-18(14)21-16/h1-8,15-16,19-20H,9-12H2
InChIKeyMHUJMCMRLNCEDY-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 79229061) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is OC1c2ccccc2CCC1CC1Cc2ccccc2S1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is MHUJMCMRLNCEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20OS/c20-19-15(10-9-13-5-1-3-7-17(13)19)12-16-11-14-6-2-4-8-18(14)21-16/h1-8,15-16,19-20H,9-12H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 296.44 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 79229061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).