3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid

C14H18O4 — CID 63072782

IUPAC3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
SMILESCCOC(COc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H18O4/c1-2-17-13(14(15)16)9-18-12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,2-5,9H2,1H3,(H,15,16)
InChIKeyQKCVIDUDJLQSSO-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.04
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid

3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid (PubChem CID 63072782) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
PubChem CID63072782
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
SMILESCCOC(COc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H18O4/c1-2-17-13(14(15)16)9-18-12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,2-5,9H2,1H3,(H,15,16)
InChIKeyQKCVIDUDJLQSSO-UHFFFAOYSA-N
XLogP2.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid
CID 55180899
2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 63075394
2-ethoxy-3-phenoxypropanoic acid
CID 63074298
2-ethoxy-3-(4-propoxyphenoxy)propanoic acid
CID 63074316
3-(4-chloro-3-fluorophenoxy)-2-ethoxypropanoic acid
CID 82727545
2-ethoxy-3-[4-(hydroxymethyl)phenoxy]propanoic acid
CID 63073122
3-(3-bromophenoxy)-2-ethoxypropanoic acid
CID 63074820
2-ethoxy-3-(3-methylsulfonylphenoxy)propanoic acid
CID 63074684
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
CID 112518654
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 62628167
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid (CID 63072782) is 3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid is CCOC(COc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid?
The InChIKey is QKCVIDUDJLQSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-2-17-13(14(15)16)9-18-12-7-6-10-4-3-5-11(10)8-12/h6-8,13H,2-5,9H2,1H3,(H,15,16).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid?
3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid has a molecular weight of 250.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid is sourced from PubChem (CID 63072782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).