(2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate

C14H16O5 — CID 23994259

IUPAC(2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate
SMILESCc1ccc(C)c(OCC(=O)OC2CCOC2=O)c1
InChIInChI=1S/C14H16O5/c1-9-3-4-10(2)12(7-9)18-8-13(15)19-11-5-6-17-14(11)16/h3-4,7,11H,5-6,8H2,1-2H3
InChIKeyVASYVLJODSUGTE-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.54
Rot. Bonds4

About (2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate

(2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate (PubChem CID 23994259) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate
PubChem CID23994259
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate
SMILESCc1ccc(C)c(OCC(=O)OC2CCOC2=O)c1
InChIInChI=1S/C14H16O5/c1-9-3-4-10(2)12(7-9)18-8-13(15)19-11-5-6-17-14(11)16/h3-4,7,11H,5-6,8H2,1-2H3
InChIKeyVASYVLJODSUGTE-UHFFFAOYSA-N
XLogP1.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
(2-oxooxolan-3-yl) 2-amino-5-methylbenzoate
CID 60768740
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
[(3S)-2-oxooxolan-3-yl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate
CID 7881464
[(3S)-2-oxooxolan-3-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728569
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
3-(2-fluoro-4-methylphenoxy)oxolan-2-one
CID 143191698
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 79410255
3-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]oxolan-2-one
CID 55246108
[(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate
CID 8896967
(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate
CID 61315040

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate (CID 23994259) is (2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate is Cc1ccc(C)c(OCC(=O)OC2CCOC2=O)c1.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate?
The InChIKey is VASYVLJODSUGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-9-3-4-10(2)12(7-9)18-8-13(15)19-11-5-6-17-14(11)16/h3-4,7,11H,5-6,8H2,1-2H3.
What are the key properties of (2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate?
(2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate has a molecular weight of 264.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(2,5-dimethylphenoxy)acetate is sourced from PubChem (CID 23994259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).