1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone

C14H18O2 — CID 43798834

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O2/c1-10(2)16-9-14(15)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3
InChIKeyCFPOANIMAVIABQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.78
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone (PubChem CID 43798834) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
PubChem CID43798834
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O2/c1-10(2)16-9-14(15)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3
InChIKeyCFPOANIMAVIABQ-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-2-propan-2-yloxyethanone
CID 115785102
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpentoxy)ethanone
CID 43800532
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-propan-2-yloxybenzoate
CID 7210443
4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-4-oxobutanoic acid
CID 20509536
1-(2,3-dihydro-1H-inden-5-yl)-3-methylpentan-1-one
CID 114873977
2-butoxy-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 43801226
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412758
2-methyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 70167994

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone (CID 43798834) is 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone?
The InChIKey is CFPOANIMAVIABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(2)16-9-14(15)13-7-6-11-4-3-5-12(11)8-13/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone has a molecular weight of 218.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 43798834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).