phenyl 2-phenylmethoxypropanoate

C16H16O3 — CID 15731819

IUPACphenyl 2-phenylmethoxypropanoate
SMILESCC(OCc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H16O3/c1-13(18-12-14-8-4-2-5-9-14)16(17)19-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyJNPZEKZPIMORBH-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.20
Rot. Bonds5

About phenyl 2-phenylmethoxypropanoate

phenyl 2-phenylmethoxypropanoate (PubChem CID 15731819) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is phenyl 2-phenylmethoxypropanoate.

Molecular Properties

Compound Namephenyl 2-phenylmethoxypropanoate
PubChem CID15731819
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namephenyl 2-phenylmethoxypropanoate
SMILESCC(OCc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H16O3/c1-13(18-12-14-8-4-2-5-9-14)16(17)19-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyJNPZEKZPIMORBH-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl (2S)-2-[(4-iodophenyl)methoxy]propanoate
CID 142680696
ethane;(2S)-2-[2-[(2S)-2-[2-(2-phenylmethoxypropanoyloxy)propanoyloxy]propanoyl]oxypropanoyloxy]propanoic acid
CID 143088943
phenyl (2S)-2-methoxypropanoate
CID 12621314
potassium 2-phenylmethoxypropanoylazanide
CID 143775552
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
ethyl 2-[(4-phenylphenyl)methoxy]propanoate
CID 58354424
[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate
CID 55684573
S-phenyl (2R)-2-phenylmethoxypropanethioate
CID 15356044
(2R)-2-[(4-phenylphenyl)methoxy]propanoic acid
CID 104875216
[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-oxoethyl] 2-phenylmethoxypropanoate
CID 142213101
(2S,4S,5S)-5-hydroxy-4,6-dimethyl-2-phenylmethoxyheptan-3-one
CID 101232046
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126

Frequently Asked Questions

What is the IUPAC name of phenyl 2-phenylmethoxypropanoate?
The IUPAC name of phenyl 2-phenylmethoxypropanoate (CID 15731819) is phenyl 2-phenylmethoxypropanoate.
What is the SMILES notation for phenyl 2-phenylmethoxypropanoate?
The canonical SMILES for phenyl 2-phenylmethoxypropanoate is CC(OCc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-phenylmethoxypropanoate?
The InChIKey is JNPZEKZPIMORBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-13(18-12-14-8-4-2-5-9-14)16(17)19-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of phenyl 2-phenylmethoxypropanoate?
phenyl 2-phenylmethoxypropanoate has a molecular weight of 256.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-phenylmethoxypropanoate is sourced from PubChem (CID 15731819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).