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

C16H16O3 — CID 71456589

IUPAC(2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@@H](c2ccc3ccccc3c2)O1
InChIInChI=1S/C16H16O3/c17-16(18)15-7-3-6-14(19-15)13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10,14-15H,3,6-7H2,(H,17,18)/t14-,15+/m0/s1
InChIKeyRYWSDNARZMBSCG-LSDHHAIUSA-N
MW256.30 g/mol
LogP3.53
Rot. Bonds2

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

(2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid (PubChem CID 71456589) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid
PubChem CID71456589
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@@H](c2ccc3ccccc3c2)O1
InChIInChI=1S/C16H16O3/c17-16(18)15-7-3-6-14(19-15)13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10,14-15H,3,6-7H2,(H,17,18)/t14-,15+/m0/s1
InChIKeyRYWSDNARZMBSCG-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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid?
The IUPAC name of (2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid (CID 71456589) is (2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid.
What is the SMILES notation for (2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid?
The canonical SMILES for (2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid is O=C(O)[C@H]1CCC[C@@H](c2ccc3ccccc3c2)O1.
What is the InChIKey of (2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid?
The InChIKey is RYWSDNARZMBSCG-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H16O3/c17-16(18)15-7-3-6-14(19-15)13-9-8-11-4-1-2-5-12(11)10-13/h1-2,4-5,8-10,14-15H,3,6-7H2,(H,17,18)/t14-,15+/m0/s1.
What are the key properties of (2R,6S)-6-naphthalen-2-yloxane-2-carboxylic acid?
(2R,6S)-6-naphthalen-2-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-2-yloxane-2-carboxylic acid is sourced from PubChem (CID 71456589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).