4-(2-methoxyethoxy)-2,3-dihydroinden-1-one

C12H14O3 — CID 60705268

IUPAC4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
SMILESCOCCOc1cccc2c1CCC2=O
InChIInChI=1S/C12H14O3/c1-14-7-8-15-12-4-2-3-9-10(12)5-6-11(9)13/h2-4H,5-8H2,1H3
InChIKeyVHCYINVLJAVMLZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds4

About 4-(2-methoxyethoxy)-2,3-dihydroinden-1-one

4-(2-methoxyethoxy)-2,3-dihydroinden-1-one (PubChem CID 60705268) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
PubChem CID60705268
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
SMILESCOCCOc1cccc2c1CCC2=O
InChIInChI=1S/C12H14O3/c1-14-7-8-15-12-4-2-3-9-10(12)5-6-11(9)13/h2-4H,5-8H2,1H3
InChIKeyVHCYINVLJAVMLZ-UHFFFAOYSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4,4-dimethylpentoxy)-2,3-dihydroinden-1-one
CID 114209493
2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid
CID 70244273
5-(3-methylsulfanylpropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 115651095
N-(2-methoxyethyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]propanamide
CID 60705524
4-(2-methylbutoxy)-2,3-dihydroinden-1-one
CID 63091746
4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 63090320
butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate
CID 60730584
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
CID 60705449
4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 55025444
2-[[5-(2-methoxyethoxy)-3,4-dihydronaphthalen-1-yl]methyl]propanedioic acid
CID 139978684

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(2-methoxyethoxy)-2,3-dihydroinden-1-one (CID 60705268) is 4-(2-methoxyethoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(2-methoxyethoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(2-methoxyethoxy)-2,3-dihydroinden-1-one is COCCOc1cccc2c1CCC2=O.
What is the InChIKey of 4-(2-methoxyethoxy)-2,3-dihydroinden-1-one?
The InChIKey is VHCYINVLJAVMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-7-8-15-12-4-2-3-9-10(12)5-6-11(9)13/h2-4H,5-8H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-2,3-dihydroinden-1-one?
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one has a molecular weight of 206.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 60705268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).