4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid

C15H20O4 — CID 55180899

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid
SMILESCCOC(CCOc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C15H20O4/c1-2-18-14(15(16)17)8-9-19-13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyOPZFGSNZZTUEDN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.43
Rot. Bonds7

About 4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid

4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid (PubChem CID 55180899) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid
PubChem CID55180899
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid
SMILESCCOC(CCOc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C15H20O4/c1-2-18-14(15(16)17)8-9-19-13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyOPZFGSNZZTUEDN-UHFFFAOYSA-N
XLogP2.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 63075394
3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
CID 63072782
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249
4-(4-chloro-3-ethylphenoxy)-2-ethoxybutanoic acid
CID 63074662
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoic acid
CID 112511653
2-ethoxy-4-(4-propylphenoxy)butanoic acid
CID 63075186
2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
CID 112518654
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
3-[4-[2-[2,3-dihydro-1H-inden-5-yloxycarbonyl(3-phenylmethoxypropyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22234381
3-[4-[2-[4-cyclohexylbutyl(2,3-dihydro-1H-inden-5-yloxycarbonyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22234561
3-[4-[2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[2-(4,4,4-trifluorobutoxy)ethyl]amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22229851
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 62628167

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid (CID 55180899) is 4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid is CCOC(CCOc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid?
The InChIKey is OPZFGSNZZTUEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-18-14(15(16)17)8-9-19-13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid?
4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxybutanoic acid is sourced from PubChem (CID 55180899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).