2-(methoxymethyl)-2-propyl-3H-inden-1-one

C14H18O2 — CID 85221992

IUPAC2-(methoxymethyl)-2-propyl-3H-inden-1-one
SMILESCCCC1(COC)Cc2ccccc2C1=O
InChIInChI=1S/C14H18O2/c1-3-8-14(10-16-2)9-11-6-4-5-7-12(11)13(14)15/h4-7H,3,8-10H2,1-2H3
InChIKeyQWTKVJBEZNBTAV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.86
Rot. Bonds4

About 2-(methoxymethyl)-2-propyl-3H-inden-1-one

2-(methoxymethyl)-2-propyl-3H-inden-1-one (PubChem CID 85221992) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-propyl-3H-inden-1-one.

Molecular Properties

Compound Name2-(methoxymethyl)-2-propyl-3H-inden-1-one
PubChem CID85221992
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(methoxymethyl)-2-propyl-3H-inden-1-one
SMILESCCCC1(COC)Cc2ccccc2C1=O
InChIInChI=1S/C14H18O2/c1-3-8-14(10-16-2)9-11-6-4-5-7-12(11)13(14)15/h4-7H,3,8-10H2,1-2H3
InChIKeyQWTKVJBEZNBTAV-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3H-inden-1-yl)-2-propyl-3H-inden-1-one
CID 20693123
2,2-diethoxy-3H-inden-1-one
CID 11557601
2-(bromomethyl)-2-but-3-enyl-3H-inden-1-one
CID 25023064
3,3-dibutyl-2-ethyl-2-hydroxy-4H-naphthalen-1-one
CID 12992274
2-(2-azidoethyl)-2-methyl-3H-inden-1-one
CID 59542335
methyl 2-methoxy-3-oxo-1H-indene-2-carboxylate
CID 102173835
methyl 3-oxo-2-(2-oxopropyl)-1H-indene-2-carboxylate
CID 134850202
2-ethyl-2-(3H-inden-1-yl)-3H-inden-1-one
CID 44614047
5-fluoro-2-(3-oxobutyl)-2-propyl-3H-inden-1-one
CID 102386673
2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one
CID 141404738
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
2,2-diethyl-4H-naphthalene-1,3-dione
CID 173029100

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-propyl-3H-inden-1-one?
The IUPAC name of 2-(methoxymethyl)-2-propyl-3H-inden-1-one (CID 85221992) is 2-(methoxymethyl)-2-propyl-3H-inden-1-one.
What is the SMILES notation for 2-(methoxymethyl)-2-propyl-3H-inden-1-one?
The canonical SMILES for 2-(methoxymethyl)-2-propyl-3H-inden-1-one is CCCC1(COC)Cc2ccccc2C1=O.
What is the InChIKey of 2-(methoxymethyl)-2-propyl-3H-inden-1-one?
The InChIKey is QWTKVJBEZNBTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-8-14(10-16-2)9-11-6-4-5-7-12(11)13(14)15/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-propyl-3H-inden-1-one?
2-(methoxymethyl)-2-propyl-3H-inden-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-propyl-3H-inden-1-one is sourced from PubChem (CID 85221992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).