1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol

C16H24OS — CID 65136751

IUPAC1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
SMILESCCC(C)SCC(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24OS/c1-3-12(2)18-11-16(17)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,12,16-17H,3-6,10-11H2,1-2H3
InChIKeyGWSRWGGGMNTHQR-UHFFFAOYSA-N
MW264.43 g/mol
LogP3.61
Rot. Bonds6

About 1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol

1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol (PubChem CID 65136751) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
PubChem CID65136751
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
SMILESCCC(C)SCC(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24OS/c1-3-12(2)18-11-16(17)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,12,16-17H,3-6,10-11H2,1-2H3
InChIKeyGWSRWGGGMNTHQR-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxy-4-methylpentan-2-ol
CID 105101654
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
CID 115803489
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65128332
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
1-(3,4-difluorophenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 82920814
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
[1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225261
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 65195148
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65395381

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol?
The IUPAC name of 1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol (CID 65136751) is 1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol.
What is the SMILES notation for 1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol?
The canonical SMILES for 1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol is CCC(C)SCC(O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol?
The InChIKey is GWSRWGGGMNTHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-3-12(2)18-11-16(17)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,12,16-17H,3-6,10-11H2,1-2H3.
What are the key properties of 1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol?
1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol has a molecular weight of 264.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol is sourced from PubChem (CID 65136751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).