1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone

C15H20O2S — CID 55261503

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone
SMILESCOCCCSCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O2S/c1-17-8-3-9-18-11-15(16)14-7-6-12-4-2-5-13(12)10-14/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyZMCRYPNZZLFACJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.13
Rot. Bonds7

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone (PubChem CID 55261503) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone
PubChem CID55261503
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone
SMILESCOCCCSCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O2S/c1-17-8-3-9-18-11-15(16)14-7-6-12-4-2-5-13(12)10-14/h6-7,10H,2-5,8-9,11H2,1H3
InChIKeyZMCRYPNZZLFACJ-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methylbutylsulfanyl)ethanone
CID 107752852
2-ethylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82050708
2-(3-methoxypropylsulfanyl)-1-(4-methylphenyl)ethanone
CID 63857930
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412758
2-methylsulfanyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 116830081
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 78759386
1-(2,4-dimethylphenyl)-2-(3-methoxypropylsulfanyl)ethanone
CID 63857404
2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43801226
1-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 16505786
2-[[5-(2-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 24576919
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 115815185
1-[2-(2-methoxyethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43359849

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone (CID 55261503) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone is COCCCSCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone?
The InChIKey is ZMCRYPNZZLFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-17-8-3-9-18-11-15(16)14-7-6-12-4-2-5-13(12)10-14/h6-7,10H,2-5,8-9,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone has a molecular weight of 264.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxypropylsulfanyl)ethanone is sourced from PubChem (CID 55261503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).