(2R,3R)-2-phenyloxane-3-carboxylic acid

C12H14O3 — CID 51723209

IUPAC(2R,3R)-2-phenyloxane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C12H14O3/c13-12(14)10-7-4-8-15-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,13,14)/t10-,11+/m1/s1
InChIKeyPLTXACXZZGZCLU-MNOVXSKESA-N
MW206.24 g/mol
LogP2.24
Rot. Bonds2

About (2R,3R)-2-phenyloxane-3-carboxylic acid

(2R,3R)-2-phenyloxane-3-carboxylic acid (PubChem CID 51723209) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2R,3R)-2-phenyloxane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-phenyloxane-3-carboxylic acid
PubChem CID51723209
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2R,3R)-2-phenyloxane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C12H14O3/c13-12(14)10-7-4-8-15-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,13,14)/t10-,11+/m1/s1
InChIKeyPLTXACXZZGZCLU-MNOVXSKESA-N
XLogP2.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-phenyloxane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-phenyloxane-3-carboxylic acid (CID 51723209) is (2R,3R)-2-phenyloxane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-phenyloxane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-phenyloxane-3-carboxylic acid is O=C(O)[C@@H]1CCCO[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-phenyloxane-3-carboxylic acid?
The InChIKey is PLTXACXZZGZCLU-MNOVXSKESA-N. The full InChI is InChI=1S/C12H14O3/c13-12(14)10-7-4-8-15-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,13,14)/t10-,11+/m1/s1.
What are the key properties of (2R,3R)-2-phenyloxane-3-carboxylic acid?
(2R,3R)-2-phenyloxane-3-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-phenyloxane-3-carboxylic acid is sourced from PubChem (CID 51723209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).