5-(2-methylpentoxy)-2,3-dihydroinden-1-one

C15H20O2 — CID 107684058

IUPAC5-(2-methylpentoxy)-2,3-dihydroinden-1-one
SMILESCCCC(C)COc1ccc2c(c1)CCC2=O
InChIInChI=1S/C15H20O2/c1-3-4-11(2)10-17-13-6-7-14-12(9-13)5-8-15(14)16/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyMBJXGIFGJAIOGY-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.63
Rot. Bonds5

About 5-(2-methylpentoxy)-2,3-dihydroinden-1-one

5-(2-methylpentoxy)-2,3-dihydroinden-1-one (PubChem CID 107684058) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-(2-methylpentoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(2-methylpentoxy)-2,3-dihydroinden-1-one
PubChem CID107684058
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5-(2-methylpentoxy)-2,3-dihydroinden-1-one
SMILESCCCC(C)COc1ccc2c(c1)CCC2=O
InChIInChI=1S/C15H20O2/c1-3-4-11(2)10-17-13-6-7-14-12(9-13)5-8-15(14)16/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyMBJXGIFGJAIOGY-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one
CID 104982128
5-(2-ethyl-2-hydroxybutoxy)-2,3-dihydroinden-1-one
CID 104985833
5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826
5-[3-(nonan-3-ylamino)propoxy]-2,3-dihydroinden-1-one
CID 67940588
5-[(3,5-dimethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684168
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091344
2-amino-4-(2-methylpentoxy)benzenesulfonamide
CID 103282924
N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 104982164

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(2-methylpentoxy)-2,3-dihydroinden-1-one (CID 107684058) is 5-(2-methylpentoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(2-methylpentoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(2-methylpentoxy)-2,3-dihydroinden-1-one is CCCC(C)COc1ccc2c(c1)CCC2=O.
What is the InChIKey of 5-(2-methylpentoxy)-2,3-dihydroinden-1-one?
The InChIKey is MBJXGIFGJAIOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-4-11(2)10-17-13-6-7-14-12(9-13)5-8-15(14)16/h6-7,9,11H,3-5,8,10H2,1-2H3.
What are the key properties of 5-(2-methylpentoxy)-2,3-dihydroinden-1-one?
5-(2-methylpentoxy)-2,3-dihydroinden-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 107684058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).