methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C12H14O3 — CID 43082820

IUPACmethyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCOC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14O3/c1-14-12(13)8-15-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3
InChIKeyXKYDIXSVYUPBLP-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.73
Rot. Bonds3

About methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 43082820) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID43082820
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCOC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14O3/c1-14-12(13)8-15-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3
InChIKeyXKYDIXSVYUPBLP-UHFFFAOYSA-N
XLogP1.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
CID 55916355
methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
CID 2677869
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4673954
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-methylbutan-2-yl)acetamide
CID 84602200
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
CID 7235156
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603
methyl 2-[[8-(4-methoxyphenyl)imino-6,7-dihydro-5H-naphthalen-2-yl]oxy]acetate
CID 148980202
(E)-4-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbut-2-enoic acid
CID 55236131

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 43082820) is methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is COC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is XKYDIXSVYUPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-12(13)8-15-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3.
What are the key properties of methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 206.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 43082820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).