propan-2-yl 2-phenoxyacetate

C11H14O3 — CID 11367560

IUPACpropan-2-yl 2-phenoxyacetate
SMILESCC(C)OC(=O)COc1ccccc1
InChIInChI=1S/C11H14O3/c1-9(2)14-11(12)8-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyZUGZAGVRSXHCOA-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.02
Rot. Bonds4

About propan-2-yl 2-phenoxyacetate

propan-2-yl 2-phenoxyacetate (PubChem CID 11367560) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is propan-2-yl 2-phenoxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-phenoxyacetate
PubChem CID11367560
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namepropan-2-yl 2-phenoxyacetate
SMILESCC(C)OC(=O)COc1ccccc1
InChIInChI=1S/C11H14O3/c1-9(2)14-11(12)8-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyZUGZAGVRSXHCOA-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(4-phenylphenoxy)acetate
CID 2791913
benzhydryl 2-(2-phenoxyacetyl)oxypropanoate
CID 14524948
propan-2-yl 4-phenoxybutanoate
CID 71627864
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
3-[4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]prop-2-enoic acid
CID 53395726
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-phenoxyacetate
CID 7980312
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
[(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 2-phenoxyacetate
CID 6949819
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
methyl 2-phenoxyethaneperoxoate
CID 57363881
propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate
CID 126194165
propan-2-yl 2-(3,4-difluorophenoxy)acetate
CID 60730764

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-phenoxyacetate?
The IUPAC name of propan-2-yl 2-phenoxyacetate (CID 11367560) is propan-2-yl 2-phenoxyacetate.
What is the SMILES notation for propan-2-yl 2-phenoxyacetate?
The canonical SMILES for propan-2-yl 2-phenoxyacetate is CC(C)OC(=O)COc1ccccc1.
What is the InChIKey of propan-2-yl 2-phenoxyacetate?
The InChIKey is ZUGZAGVRSXHCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-9(2)14-11(12)8-13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of propan-2-yl 2-phenoxyacetate?
propan-2-yl 2-phenoxyacetate has a molecular weight of 194.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-phenoxyacetate is sourced from PubChem (CID 11367560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).