5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C18H20O2S — CID 79228032

IUPAC5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCCSc3ccccc3)cccc21
InChIInChI=1S/C18H20O2S/c19-17-10-4-9-16-15(17)8-5-11-18(16)20-12-13-21-14-6-2-1-3-7-14/h1-3,5-8,11,17,19H,4,9-10,12-13H2
InChIKeyWZTKJDBLMVJBAP-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.23
Rot. Bonds5

About 5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 79228032) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID79228032
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCCSc3ccccc3)cccc21
InChIInChI=1S/C18H20O2S/c19-17-10-4-9-16-15(17)8-5-11-18(16)20-12-13-21-14-6-2-1-3-7-14/h1-3,5-8,11,17,19H,4,9-10,12-13H2
InChIKeyWZTKJDBLMVJBAP-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544
4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol
CID 63091389
5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711761
4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide
CID 65454087
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819
5-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2,2-dimethylpentanenitrile
CID 65454089
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 55179905
5-[(5-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103135185
4-but-3-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 63091221
5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60703094
5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60627582
4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 63090709

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 79228032) is 5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2c(OCCSc3ccccc3)cccc21.
What is the InChIKey of 5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is WZTKJDBLMVJBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c19-17-10-4-9-16-15(17)8-5-11-18(16)20-12-13-21-14-6-2-1-3-7-14/h1-3,5-8,11,17,19H,4,9-10,12-13H2.
What are the key properties of 5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 300.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 79228032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).