8-naphthalen-2-yloxy-8-oxooctanoic acid

C18H20O4 — CID 70617046

IUPAC8-naphthalen-2-yloxy-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H20O4/c19-17(20)9-3-1-2-4-10-18(21)22-16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13H,1-4,9-10H2,(H,19,20)
InChIKeyGJZPJWRGRDWGES-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.17
Rot. Bonds8

About 8-naphthalen-2-yloxy-8-oxooctanoic acid

8-naphthalen-2-yloxy-8-oxooctanoic acid (PubChem CID 70617046) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 8-naphthalen-2-yloxy-8-oxooctanoic acid.

Molecular Properties

Compound Name8-naphthalen-2-yloxy-8-oxooctanoic acid
PubChem CID70617046
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name8-naphthalen-2-yloxy-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H20O4/c19-17(20)9-3-1-2-4-10-18(21)22-16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13H,1-4,9-10H2,(H,19,20)
InChIKeyGJZPJWRGRDWGES-UHFFFAOYSA-N
XLogP4.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 8-naphthalen-2-yloxy-8-oxooctanoic 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

naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352
naphthalen-2-yl 4-bromobutanoate
CID 532375
50-oxo-50-phenoxypentacontanoic acid
CID 139682644
52-oxo-52-phenoxydopentacontanoic acid
CID 139682709
44-oxo-44-phenoxytetratetracontanoic acid
CID 139683012
59-oxo-59-phenoxynonapentacontanoic acid
CID 139682621
naphthalen-2-yl 4-chlorobutanoate
CID 532367
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
naphthalen-2-yl undec-10-enoate
CID 4206376
1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate
CID 91718888
1-O-(2-methylpropyl) 7-O-naphthalen-2-yl heptanedioate
CID 91718854
naphthalen-2-yl 3-aminopropanoate
CID 82113672

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yloxy-8-oxooctanoic acid?
The IUPAC name of 8-naphthalen-2-yloxy-8-oxooctanoic acid (CID 70617046) is 8-naphthalen-2-yloxy-8-oxooctanoic acid.
What is the SMILES notation for 8-naphthalen-2-yloxy-8-oxooctanoic acid?
The canonical SMILES for 8-naphthalen-2-yloxy-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of 8-naphthalen-2-yloxy-8-oxooctanoic acid?
The InChIKey is GJZPJWRGRDWGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c19-17(20)9-3-1-2-4-10-18(21)22-16-12-11-14-7-5-6-8-15(14)13-16/h5-8,11-13H,1-4,9-10H2,(H,19,20).
What are the key properties of 8-naphthalen-2-yloxy-8-oxooctanoic acid?
8-naphthalen-2-yloxy-8-oxooctanoic acid has a molecular weight of 300.35 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-yloxy-8-oxooctanoic acid is sourced from PubChem (CID 70617046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).