phenyl (2R)-2-(2-methoxyphenoxy)propanoate

C16H16O4 — CID 134965556

IUPACphenyl (2R)-2-(2-methoxyphenoxy)propanoate
SMILESCOc1ccccc1O[C@H](C)C(=O)Oc1ccccc1
InChIInChI=1S/C16H16O4/c1-12(16(17)20-13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18-2/h3-12H,1-2H3/t12-/m1/s1
InChIKeyZVMROJBLCNPYCT-GFCCVEGCSA-N
MW272.30 g/mol
LogP3.07
Rot. Bonds5

About phenyl (2R)-2-(2-methoxyphenoxy)propanoate

phenyl (2R)-2-(2-methoxyphenoxy)propanoate (PubChem CID 134965556) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is phenyl (2R)-2-(2-methoxyphenoxy)propanoate.

Molecular Properties

Compound Namephenyl (2R)-2-(2-methoxyphenoxy)propanoate
PubChem CID134965556
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namephenyl (2R)-2-(2-methoxyphenoxy)propanoate
SMILESCOc1ccccc1O[C@H](C)C(=O)Oc1ccccc1
InChIInChI=1S/C16H16O4/c1-12(16(17)20-13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18-2/h3-12H,1-2H3/t12-/m1/s1
InChIKeyZVMROJBLCNPYCT-GFCCVEGCSA-N
XLogP3.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl (2S)-2-methoxypropanoate
CID 12621314
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate
CID 3324699
(2-methoxyphenyl) 2-(2,4,5-trichlorophenoxy)propanoate
CID 3641966
(4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate
CID 887463
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833581
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
2-(2-methoxyphenoxy)propanediamide
CID 141374982
(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate
CID 46820145
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
phenyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 68736409
3-(2-methoxyphenoxy)-2-oxo-N-propan-2-ylbutanamide
CID 139329282

Frequently Asked Questions

What is the IUPAC name of phenyl (2R)-2-(2-methoxyphenoxy)propanoate?
The IUPAC name of phenyl (2R)-2-(2-methoxyphenoxy)propanoate (CID 134965556) is phenyl (2R)-2-(2-methoxyphenoxy)propanoate.
What is the SMILES notation for phenyl (2R)-2-(2-methoxyphenoxy)propanoate?
The canonical SMILES for phenyl (2R)-2-(2-methoxyphenoxy)propanoate is COc1ccccc1O[C@H](C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2R)-2-(2-methoxyphenoxy)propanoate?
The InChIKey is ZVMROJBLCNPYCT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16O4/c1-12(16(17)20-13-8-4-3-5-9-13)19-15-11-7-6-10-14(15)18-2/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of phenyl (2R)-2-(2-methoxyphenoxy)propanoate?
phenyl (2R)-2-(2-methoxyphenoxy)propanoate has a molecular weight of 272.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R)-2-(2-methoxyphenoxy)propanoate is sourced from PubChem (CID 134965556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).