propan-2-yl 4-(phenoxymethyl)benzoate

C17H18O3 — CID 55357147

IUPACpropan-2-yl 4-(phenoxymethyl)benzoate
SMILESCC(C)OC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-13(2)20-17(18)15-10-8-14(9-11-15)12-19-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyCHDAVVUHILHGNV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.83
Rot. Bonds5

About propan-2-yl 4-(phenoxymethyl)benzoate

propan-2-yl 4-(phenoxymethyl)benzoate (PubChem CID 55357147) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is propan-2-yl 4-(phenoxymethyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(phenoxymethyl)benzoate
PubChem CID55357147
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namepropan-2-yl 4-(phenoxymethyl)benzoate
SMILESCC(C)OC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-13(2)20-17(18)15-10-8-14(9-11-15)12-19-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyCHDAVVUHILHGNV-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186223
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 14985162
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 7222135
benzhydryl 4-[(4-bromophenoxy)methyl]benzoate
CID 126182392
[1-(dimethylamino)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 55392511
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 46810938
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(phenoxymethyl)benzoate
CID 8738169
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(phenoxymethyl)benzoate
CID 8738170
propan-2-yl 4-ethylbenzoate
CID 583760
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(phenoxymethyl)benzoate?
The IUPAC name of propan-2-yl 4-(phenoxymethyl)benzoate (CID 55357147) is propan-2-yl 4-(phenoxymethyl)benzoate.
What is the SMILES notation for propan-2-yl 4-(phenoxymethyl)benzoate?
The canonical SMILES for propan-2-yl 4-(phenoxymethyl)benzoate is CC(C)OC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of propan-2-yl 4-(phenoxymethyl)benzoate?
The InChIKey is CHDAVVUHILHGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13(2)20-17(18)15-10-8-14(9-11-15)12-19-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3.
What are the key properties of propan-2-yl 4-(phenoxymethyl)benzoate?
propan-2-yl 4-(phenoxymethyl)benzoate has a molecular weight of 270.33 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(phenoxymethyl)benzoate is sourced from PubChem (CID 55357147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).