(2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid

C16H16O3 — CID 71453076

IUPAC(2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@@H](c2cccc3ccccc23)O1
InChIInChI=1S/C16H16O3/c17-16(18)15-10-4-9-14(19-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14-15H,4,9-10H2,(H,17,18)/t14-,15+/m0/s1
InChIKeyWREBGLJSNYSKFC-LSDHHAIUSA-N
MW256.30 g/mol
LogP3.53
Rot. Bonds2

About (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid

(2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid (PubChem CID 71453076) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid
PubChem CID71453076
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@@H](c2cccc3ccccc23)O1
InChIInChI=1S/C16H16O3/c17-16(18)15-10-4-9-14(19-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14-15H,4,9-10H2,(H,17,18)/t14-,15+/m0/s1
InChIKeyWREBGLJSNYSKFC-LSDHHAIUSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid?
The IUPAC name of (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid (CID 71453076) is (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid.
What is the SMILES notation for (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid?
The canonical SMILES for (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid is O=C(O)[C@H]1CCC[C@@H](c2cccc3ccccc23)O1.
What is the InChIKey of (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid?
The InChIKey is WREBGLJSNYSKFC-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H16O3/c17-16(18)15-10-4-9-14(19-15)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14-15H,4,9-10H2,(H,17,18)/t14-,15+/m0/s1.
What are the key properties of (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid?
(2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-naphthalen-1-yloxane-2-carboxylic acid is sourced from PubChem (CID 71453076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).