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

C18H20O3 — CID 82550165

IUPACpropan-2-yl 2-(4-phenylmethoxyphenyl)acetate
SMILESCC(C)OC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-14(2)21-18(19)12-15-8-10-17(11-9-15)20-13-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
InChIKeyWJDBAIZEDUNFJY-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.76
Rot. Bonds6

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

propan-2-yl 2-(4-phenylmethoxyphenyl)acetate (PubChem CID 82550165) has the molecular formula C18H20O3 and a molecular weight of 284.35 g/mol. Its IUPAC name is propan-2-yl 2-(4-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-phenylmethoxyphenyl)acetate
PubChem CID82550165
Molecular FormulaC18H20O3
Molecular Weight284.35 g/mol
Exact Mass284.14
IUPAC Namepropan-2-yl 2-(4-phenylmethoxyphenyl)acetate
SMILESCC(C)OC(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20O3/c1-14(2)21-18(19)12-15-8-10-17(11-9-15)20-13-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
InChIKeyWJDBAIZEDUNFJY-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
propan-2-yl 2-(2-nitro-5-phenylmethoxyphenyl)acetate
CID 19603840
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 2-(4-fluorophenyl)acetate
CID 7759131
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
CID 563772
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
S-tert-butylthiohydroxylamine;propan-2-yl 2-phenylacetate
CID 174931571
N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide;ethane
CID 143396477
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-phenylmethoxyphenyl)acetate?
The IUPAC name of propan-2-yl 2-(4-phenylmethoxyphenyl)acetate (CID 82550165) is propan-2-yl 2-(4-phenylmethoxyphenyl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-phenylmethoxyphenyl)acetate?
The canonical SMILES for propan-2-yl 2-(4-phenylmethoxyphenyl)acetate is CC(C)OC(=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of propan-2-yl 2-(4-phenylmethoxyphenyl)acetate?
The InChIKey is WJDBAIZEDUNFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-14(2)21-18(19)12-15-8-10-17(11-9-15)20-13-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-phenylmethoxyphenyl)acetate?
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate has a molecular weight of 284.35 g/mol, XLogP of 3.76, 6 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-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 82550165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).