1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone

C16H20O3 — CID 61288416

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone
SMILESO=C(COC1CCOCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20O3/c17-16(11-19-15-6-8-18-9-7-15)14-5-4-12-2-1-3-13(12)10-14/h4-5,10,15H,1-3,6-9,11H2
InChIKeyILJCUGMFURAEPA-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.55
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone (PubChem CID 61288416) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone
PubChem CID61288416
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone
SMILESO=C(COC1CCOCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H20O3/c17-16(11-19-15-6-8-18-9-7-15)14-5-4-12-2-1-3-13(12)10-14/h4-5,10,15H,1-3,6-9,11H2
InChIKeyILJCUGMFURAEPA-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43801226
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone
CID 43800532
1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone
CID 63556467
1-(4-chlorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 63557451
1-(2,3-dihydro-1H-inden-5-yl)-3-(oxan-2-yl)propan-1-one
CID 63953931
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
oxolan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 61272773
2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 63567111
1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 63559072
2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
CID 43799312
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7500911

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone (CID 61288416) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone is O=C(COC1CCOCC1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone?
The InChIKey is ILJCUGMFURAEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-16(11-19-15-6-8-18-9-7-15)14-5-4-12-2-1-3-13(12)10-14/h4-5,10,15H,1-3,6-9,11H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yloxy)ethanone has a molecular weight of 260.33 g/mol, XLogP of 2.55, 4 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-(oxan-4-yloxy)ethanone is sourced from PubChem (CID 61288416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).