2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid

C15H18O4 — CID 70244273

IUPAC2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid
SMILESCCC(CCOc1cccc2c1CCC2=O)C(=O)O
InChIInChI=1S/C15H18O4/c1-2-10(15(17)18)8-9-19-14-5-3-4-11-12(14)6-7-13(11)16/h3-5,10H,2,6-9H2,1H3,(H,17,18)
InChIKeyAVSLEBDRANJIGX-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.70
Rot. Bonds6

About 2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid

2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid (PubChem CID 70244273) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid
PubChem CID70244273
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid
SMILESCCC(CCOc1cccc2c1CCC2=O)C(=O)O
InChIInChI=1S/C15H18O4/c1-2-10(15(17)18)8-9-19-14-5-3-4-11-12(14)6-7-13(11)16/h3-5,10H,2,6-9H2,1H3,(H,17,18)
InChIKeyAVSLEBDRANJIGX-UHFFFAOYSA-N
XLogP2.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
4-(2-methylbutoxy)-2,3-dihydroinden-1-one
CID 63091746
4-(4,4-dimethylpentoxy)-2,3-dihydroinden-1-one
CID 114209493
butyl 2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetate
CID 60730584
4-(2-hydroxy-2-phenylethoxy)-2,3-dihydroinden-1-one
CID 63091023
4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 63090320
4-(2-chloroprop-2-enoxy)-2,3-dihydroinden-1-one
CID 60705449
5-(3-methylsulfanylpropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 115651095
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402308
(2S,3R)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoic acid
CID 101226222
5-(2-sulfanylethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 142914123
4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one
CID 24578849

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid?
The IUPAC name of 2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid (CID 70244273) is 2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid.
What is the SMILES notation for 2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid?
The canonical SMILES for 2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid is CCC(CCOc1cccc2c1CCC2=O)C(=O)O.
What is the InChIKey of 2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid?
The InChIKey is AVSLEBDRANJIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-2-10(15(17)18)8-9-19-14-5-3-4-11-12(14)6-7-13(11)16/h3-5,10H,2,6-9H2,1H3,(H,17,18).
What are the key properties of 2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid?
2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid has a molecular weight of 262.30 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(1-oxo-2,3-dihydroinden-4-yl)oxy]butanoic acid is sourced from PubChem (CID 70244273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).