1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one

C15H20O2 — CID 83226402

IUPAC1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one
SMILESCCCOC1(C(=O)CC)Cc2ccccc2C1
InChIInChI=1S/C15H20O2/c1-3-9-17-15(14(16)4-2)10-12-7-5-6-8-13(12)11-15/h5-8H,3-4,9-11H2,1-2H3
InChIKeyHVKDDXNBUCAJOF-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.93
Rot. Bonds5

About 1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one

1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one (PubChem CID 83226402) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one
PubChem CID83226402
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one
SMILESCCCOC1(C(=O)CC)Cc2ccccc2C1
InChIInChI=1S/C15H20O2/c1-3-9-17-15(14(16)4-2)10-12-7-5-6-8-13(12)11-15/h5-8H,3-4,9-11H2,1-2H3
InChIKeyHVKDDXNBUCAJOF-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-(2-hydroxy-1,3-dihydroinden-2-yl)ethanone
CID 14913085
(2-amino-1,3-dihydroinden-2-yl) butanoate
CID 174556111
2-propoxy-3,4-dihydrochromene-2-carboxylic acid
CID 150273044
1-(1-hydroxy-2,2-dimethyl-3H-inden-1-yl)propan-1-one
CID 12992269
2-bromo-1-(2-ethyl-1,3-dihydroinden-2-yl)ethanone
CID 11010958
ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate
CID 62393323
2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 59314394
1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one
CID 70096888
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-propoxypropan-2-one
CID 66416837
(2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate
CID 89397821

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one?
The IUPAC name of 1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one (CID 83226402) is 1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one?
The canonical SMILES for 1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one is CCCOC1(C(=O)CC)Cc2ccccc2C1.
What is the InChIKey of 1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one?
The InChIKey is HVKDDXNBUCAJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-9-17-15(14(16)4-2)10-12-7-5-6-8-13(12)11-15/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one?
1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one has a molecular weight of 232.32 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one is sourced from PubChem (CID 83226402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).