2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid

C14H17FO3 — CID 173335442

IUPAC2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
SMILESCCC1c2cccc(OCC(=O)O)c2CCC1F
InChIInChI=1S/C14H17FO3/c1-2-9-10-4-3-5-13(18-8-14(16)17)11(10)6-7-12(9)15/h3-5,9,12H,2,6-8H2,1H3,(H,16,17)
InChIKeyNKJVJVGYTCYMKV-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.93
Rot. Bonds4

About 2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid

2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid (PubChem CID 173335442) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
PubChem CID173335442
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid
SMILESCCC1c2cccc(OCC(=O)O)c2CCC1F
InChIInChI=1S/C14H17FO3/c1-2-9-10-4-3-5-13(18-8-14(16)17)11(10)6-7-12(9)15/h3-5,9,12H,2,6-8H2,1H3,(H,16,17)
InChIKeyNKJVJVGYTCYMKV-UHFFFAOYSA-N
XLogP2.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(5S,6S)-5-hydroxy-6-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 173335440
2-[(7b-ethyl-1,1a,2,3-tetrahydrocyclopropa[a]naphthalen-4-yl)oxy]acetic acid
CID 173335444
2-[(5-ethyl-5,6-dihydroxy-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetic acid
CID 173335438
2-[[6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355312
2-[[1-[2-(benzhydryloxyamino)-2-oxoethyl]-2,3-dihydro-1H-inden-4-yl]oxy]acetic acid
CID 15230247
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
CID 63089577
2-[[(7S)-7-undecyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 144530116
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
CID 63089490
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19694577
2-[[6-(3-hydroxypropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19004218
N-cyclopropyl-N-ethyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]acetamide
CID 63091355

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid?
The IUPAC name of 2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid (CID 173335442) is 2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid?
The canonical SMILES for 2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid is CCC1c2cccc(OCC(=O)O)c2CCC1F.
What is the InChIKey of 2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid?
The InChIKey is NKJVJVGYTCYMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-2-9-10-4-3-5-13(18-8-14(16)17)11(10)6-7-12(9)15/h3-5,9,12H,2,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid?
2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid has a molecular weight of 252.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-6-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetic acid is sourced from PubChem (CID 173335442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).