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

C14H18O3 — CID 82129231

IUPACmethyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O3/c1-14(2,13(15)16-3)17-12-8-7-10-5-4-6-11(10)9-12/h7-9H,4-6H2,1-3H3
InChIKeyKXKHJXZEQZNATP-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.51
Rot. Bonds3

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

methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate (PubChem CID 82129231) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
PubChem CID82129231
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namemethyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O3/c1-14(2,13(15)16-3)17-12-8-7-10-5-4-6-11(10)9-12/h7-9H,4-6H2,1-3H3
InChIKeyKXKHJXZEQZNATP-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39286821
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 133267766
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
CID 11311209
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91784475
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylpropanamide
CID 91782238
methyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpentanoate
CID 43423746
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropan-1-one;hydrochloride
CID 154895105
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate (CID 82129231) is methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate is COC(=O)C(C)(C)Oc1ccc2c(c1)CCC2.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate?
The InChIKey is KXKHJXZEQZNATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(2,13(15)16-3)17-12-8-7-10-5-4-6-11(10)9-12/h7-9H,4-6H2,1-3H3.
What are the key properties of methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate?
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)-2-methylpropanoate has a molecular weight of 234.29 g/mol, XLogP of 2.51, 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)-2-methylpropanoate is sourced from PubChem (CID 82129231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).