5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one

C13H16O3 — CID 104982128

IUPAC5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one
SMILESCOCC(C)Oc1ccc2c(c1)CCC2=O
InChIInChI=1S/C13H16O3/c1-9(8-15-2)16-11-4-5-12-10(7-11)3-6-13(12)14/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyLEMDUYNSYDGPSY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.23
Rot. Bonds4

About 5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one

5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one (PubChem CID 104982128) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one
PubChem CID104982128
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one
SMILESCOCC(C)Oc1ccc2c(c1)CCC2=O
InChIInChI=1S/C13H16O3/c1-9(8-15-2)16-11-4-5-12-10(7-11)3-6-13(12)14/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyLEMDUYNSYDGPSY-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpentoxy)-2,3-dihydroinden-1-one
CID 107684058
N-(ethylcarbamoyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 107684125
N-(3-methylbutyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]propanamide
CID 104982164
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
N-(3-methoxypropyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104986087
ethyl (1-oxo-2,3-dihydroinden-5-yl) carbonate
CID 90023726
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748
5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
CID 11149112
5-(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 104986117
2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
CID 171068203
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one (CID 104982128) is 5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one is COCC(C)Oc1ccc2c(c1)CCC2=O.
What is the InChIKey of 5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one?
The InChIKey is LEMDUYNSYDGPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(8-15-2)16-11-4-5-12-10(7-11)3-6-13(12)14/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of 5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one?
5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one has a molecular weight of 220.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 104982128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).