3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

C14H20OS — CID 116831085

IUPAC3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESCSCCC(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20OS/c1-16-9-8-14(15)13-7-6-11-4-2-3-5-12(11)10-13/h6-7,10,14-15H,2-5,8-9H2,1H3
InChIKeyVAQHISZBIKEQRY-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.35
Rot. Bonds4

About 3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol (PubChem CID 116831085) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
PubChem CID116831085
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESCSCCC(O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20OS/c1-16-9-8-14(15)13-7-6-11-4-2-3-5-12(11)10-13/h6-7,10,14-15H,2-5,8-9H2,1H3
InChIKeyVAQHISZBIKEQRY-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-sulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 116830936
3-amino-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-1-ol
CID 84684971
1-(2,3-dihydro-1H-inden-5-yl)-4,4-dimethylpentan-1-ol
CID 115791341
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
sodium 4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoate
CID 23703653
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 82123649
3-[benzyl(ethyl)amino]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073593

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The IUPAC name of 3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol (CID 116831085) is 3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol is CSCCC(O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The InChIKey is VAQHISZBIKEQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-16-9-8-14(15)13-7-6-11-4-2-3-5-12(11)10-13/h6-7,10,14-15H,2-5,8-9H2,1H3.
What are the key properties of 3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol has a molecular weight of 236.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 116831085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).