2-[2-(oxan-4-yl)phenoxy]acetic acid

C13H16O4 — CID 22246374

IUPAC2-[2-(oxan-4-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C1CCOCC1
InChIInChI=1S/C13H16O4/c14-13(15)9-17-12-4-2-1-3-11(12)10-5-7-16-8-6-10/h1-4,10H,5-9H2,(H,14,15)
InChIKeyRECJOOIXCGHJBC-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.04
Rot. Bonds4

About 2-[2-(oxan-4-yl)phenoxy]acetic acid

2-[2-(oxan-4-yl)phenoxy]acetic acid (PubChem CID 22246374) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)phenoxy]acetic acid
PubChem CID22246374
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-[2-(oxan-4-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1C1CCOCC1
InChIInChI=1S/C13H16O4/c14-13(15)9-17-12-4-2-1-3-11(12)10-5-7-16-8-6-10/h1-4,10H,5-9H2,(H,14,15)
InChIKeyRECJOOIXCGHJBC-UHFFFAOYSA-N
XLogP2.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxan-4-yl)phenoxy]ethanamine
CID 115032722
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
4-(2-methoxyphenyl)oxane
CID 121009799
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
3-[[2-(2-methylphenoxy)acetyl]-(oxan-4-yl)amino]propanoic acid
CID 119212252
2-[2-[4-[(3-hydroxypiperidin-2-yl)methoxy]cyclohexyl]phenoxy]acetic acid
CID 170605373
2-(oxan-4-yl)benzoyl iodide
CID 118183273
4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-1-carboxylic acid
CID 141155636
CID 131854846
CID 131854846
2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid
CID 154569273
N,N-dimethyl-2-(2-piperidin-4-ylphenoxy)acetamide;hydrochloride
CID 22622337
2-(4-cyano-2-cyclopropylphenoxy)acetic acid
CID 118394569

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(oxan-4-yl)phenoxy]acetic acid (CID 22246374) is 2-[2-(oxan-4-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(oxan-4-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(oxan-4-yl)phenoxy]acetic acid is O=C(O)COc1ccccc1C1CCOCC1.
What is the InChIKey of 2-[2-(oxan-4-yl)phenoxy]acetic acid?
The InChIKey is RECJOOIXCGHJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c14-13(15)9-17-12-4-2-1-3-11(12)10-5-7-16-8-6-10/h1-4,10H,5-9H2,(H,14,15).
What are the key properties of 2-[2-(oxan-4-yl)phenoxy]acetic acid?
2-[2-(oxan-4-yl)phenoxy]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)phenoxy]acetic acid is sourced from PubChem (CID 22246374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).