2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid

C14H16O4 — CID 70243662

IUPAC2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid
SMILESCCC(Oc1ccc2c(c1)C(=O)CCC2)C(=O)O
InChIInChI=1S/C14H16O4/c1-2-13(14(16)17)18-10-7-6-9-4-3-5-12(15)11(9)8-10/h6-8,13H,2-5H2,1H3,(H,16,17)
InChIKeyBXJCYONXJPLUHV-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.45
Rot. Bonds4

About 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid

2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid (PubChem CID 70243662) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid
PubChem CID70243662
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid
SMILESCCC(Oc1ccc2c(c1)C(=O)CCC2)C(=O)O
InChIInChI=1S/C14H16O4/c1-2-13(14(16)17)18-10-7-6-9-4-3-5-12(15)11(9)8-10/h6-8,13H,2-5H2,1H3,(H,16,17)
InChIKeyBXJCYONXJPLUHV-UHFFFAOYSA-N
XLogP2.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-propan-2-yloxyethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 114090636
2-[[4-(1-carboxypropoxy)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]oxy]butanoic acid
CID 102060211
2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
CID 112518654
2-[(2-bromo-1-oxo-2,3-dihydroinden-5-yl)oxy]butanoic acid
CID 70243642
2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 43808807
2-(4-bromo-3-methylphenoxy)butanoic acid
CID 54792675
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
ethane;2-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetic acid
CID 143844110
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525
3-phenoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62730603
7-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54195655
N,N-dibenzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133202268

Frequently Asked Questions

What is the IUPAC name of 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid?
The IUPAC name of 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid (CID 70243662) is 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid is CCC(Oc1ccc2c(c1)C(=O)CCC2)C(=O)O.
What is the InChIKey of 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid?
The InChIKey is BXJCYONXJPLUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-2-13(14(16)17)18-10-7-6-9-4-3-5-12(15)11(9)8-10/h6-8,13H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid?
2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid has a molecular weight of 248.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxy]butanoic acid is sourced from PubChem (CID 70243662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).