1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol

C15H22OS — CID 65130800

IUPAC1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
SMILESCCSCC(O)CC1CCCc2ccccc21
InChIInChI=1S/C15H22OS/c1-2-17-11-14(16)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-4,6,9,13-14,16H,2,5,7-8,10-11H2,1H3
InChIKeyAHHGQDXUNMFTKF-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.61
Rot. Bonds5

About 1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol

1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol (PubChem CID 65130800) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
PubChem CID65130800
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
SMILESCCSCC(O)CC1CCCc2ccccc21
InChIInChI=1S/C15H22OS/c1-2-17-11-14(16)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-4,6,9,13-14,16H,2,5,7-8,10-11H2,1H3
InChIKeyAHHGQDXUNMFTKF-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 65128460
1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 79616532
1,1-diethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 79495849
1-(2-methylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 107192023
3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63902024
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 107773515
3-ethoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 116713603
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The IUPAC name of 1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol (CID 65130800) is 1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The canonical SMILES for 1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol is CCSCC(O)CC1CCCc2ccccc21.
What is the InChIKey of 1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
The InChIKey is AHHGQDXUNMFTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-2-17-11-14(16)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-4,6,9,13-14,16H,2,5,7-8,10-11H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol?
1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol has a molecular weight of 250.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol is sourced from PubChem (CID 65130800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).