2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid

C16H22O4 — CID 63075394

IUPAC2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
SMILESCCOC(CCOc1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C16H22O4/c1-2-19-15(16(17)18)9-10-20-14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyOKJFDBDYSKWBOB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.82
Rot. Bonds7

About 2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid

2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid (PubChem CID 63075394) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
PubChem CID63075394
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
SMILESCCOC(CCOc1ccc2c(c1)CCCC2)C(=O)O
InChIInChI=1S/C16H22O4/c1-2-19-15(16(17)18)9-10-20-14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15H,2-6,9-10H2,1H3,(H,17,18)
InChIKeyOKJFDBDYSKWBOB-UHFFFAOYSA-N
XLogP2.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.82
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
3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
CID 63072782
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-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249
2-ethoxy-4-(4-propylphenoxy)butanoic acid
CID 63075186
2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810805
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168
3-[4-[2-[2,3-dihydro-1H-inden-5-yloxycarbonyl(3-phenylmethoxypropyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22234381
2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
CID 112518654
3-[4-[2-[2,3-dihydro-1H-inden-5-yloxycarbonyl-[2-(4,4,4-trifluorobutoxy)ethyl]amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22229851
3-[4-[2-[4-cyclohexylbutyl(2,3-dihydro-1H-inden-5-yloxycarbonyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22234561

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid?
The IUPAC name of 2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid (CID 63075394) is 2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid.
What is the SMILES notation for 2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid?
The canonical SMILES for 2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid is CCOC(CCOc1ccc2c(c1)CCCC2)C(=O)O.
What is the InChIKey of 2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid?
The InChIKey is OKJFDBDYSKWBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-2-19-15(16(17)18)9-10-20-14-8-7-12-5-3-4-6-13(12)11-14/h7-8,11,15H,2-6,9-10H2,1H3,(H,17,18).
What are the key properties of 2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid?
2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid is sourced from PubChem (CID 63075394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).