propan-2-yl 2-(4-phenylphenoxy)acetate

C17H18O3 — CID 2791913

IUPACpropan-2-yl 2-(4-phenylphenoxy)acetate
SMILESCC(C)OC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-13(2)20-17(18)12-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyRFBJYIVAATWCJV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.68
Rot. Bonds5

About propan-2-yl 2-(4-phenylphenoxy)acetate

propan-2-yl 2-(4-phenylphenoxy)acetate (PubChem CID 2791913) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is propan-2-yl 2-(4-phenylphenoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-phenylphenoxy)acetate
PubChem CID2791913
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namepropan-2-yl 2-(4-phenylphenoxy)acetate
SMILESCC(C)OC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-13(2)20-17(18)12-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKeyRFBJYIVAATWCJV-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-phenoxyacetate
CID 11367560
(4-phenylphenyl) 2-(4-ethoxyphenoxy)acetate
CID 19177827
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate
CID 42984082
3-[4-(2-oxo-2-propan-2-yloxyethoxy)phenyl]prop-2-enoic acid
CID 53395726
(2-ethoxyphenyl) 2-(4-phenylphenoxy)acetate
CID 19179210
(2,3,4,5,6-pentafluorophenyl) 2-(4-phenylphenoxy)acetate
CID 87804804
1-(4-phenylphenoxy)butan-2-one
CID 62041258
propan-2-yl 2-(3,4-difluorophenoxy)acetate
CID 60730764
propan-2-yl 2-[4-[(2-hydroxyphenyl)iminomethyl]phenoxy]acetate
CID 126194165
benzhydryl 2-(2-phenoxyacetyl)oxypropanoate
CID 14524948
methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
CID 23011279

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-phenylphenoxy)acetate?
The IUPAC name of propan-2-yl 2-(4-phenylphenoxy)acetate (CID 2791913) is propan-2-yl 2-(4-phenylphenoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(4-phenylphenoxy)acetate?
The canonical SMILES for propan-2-yl 2-(4-phenylphenoxy)acetate is CC(C)OC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of propan-2-yl 2-(4-phenylphenoxy)acetate?
The InChIKey is RFBJYIVAATWCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13(2)20-17(18)12-19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-phenylphenoxy)acetate?
propan-2-yl 2-(4-phenylphenoxy)acetate has a molecular weight of 270.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-phenylphenoxy)acetate is sourced from PubChem (CID 2791913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).