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

C15H20O2 — CID 43801226

IUPAC2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCCCCOCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O2/c1-2-3-9-17-11-15(16)14-8-7-12-5-4-6-13(12)10-14/h7-8,10H,2-6,9,11H2,1H3
InChIKeyUGTUVSIEDHDMOO-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.17
Rot. Bonds6

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

2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 43801226) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID43801226
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCCCCOCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O2/c1-2-3-9-17-11-15(16)14-8-7-12-5-4-6-13(12)10-14/h7-8,10H,2-6,9,11H2,1H3
InChIKeyUGTUVSIEDHDMOO-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-methylpentoxy)ethanone
CID 43800532
1-(5,6,7,8-tetrahydronaphthalen-2-yl)nonan-1-one
CID 65449682
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] (2S)-2-(butylsulfonylamino)propanoate
CID 8746821
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone
CID 61288416
2-(hexylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82101388
2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 82810406
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-propan-2-yloxybenzoate
CID 7210443
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone
CID 107169810
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 43801226) is 2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone is CCCCOCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is UGTUVSIEDHDMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-9-17-11-15(16)14-8-7-12-5-4-6-13(12)10-14/h7-8,10H,2-6,9,11H2,1H3.
What are the key properties of 2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 232.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 43801226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).