phenyl (2R)-2-(3-methoxyphenyl)propanoate

C16H16O3 — CID 134969016

IUPACphenyl (2R)-2-(3-methoxyphenyl)propanoate
SMILESCOc1cccc([C@@H](C)C(=O)Oc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-12(13-7-6-10-15(11-13)18-2)16(17)19-14-8-4-3-5-9-14/h3-12H,1-2H3/t12-/m1/s1
InChIKeyDFNFQZSDUIZMOC-GFCCVEGCSA-N
MW256.30 g/mol
LogP3.40
Rot. Bonds4

About phenyl (2R)-2-(3-methoxyphenyl)propanoate

phenyl (2R)-2-(3-methoxyphenyl)propanoate (PubChem CID 134969016) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is phenyl (2R)-2-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Namephenyl (2R)-2-(3-methoxyphenyl)propanoate
PubChem CID134969016
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namephenyl (2R)-2-(3-methoxyphenyl)propanoate
SMILESCOc1cccc([C@@H](C)C(=O)Oc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-12(13-7-6-10-15(11-13)18-2)16(17)19-14-8-4-3-5-9-14/h3-12H,1-2H3/t12-/m1/s1
InChIKeyDFNFQZSDUIZMOC-GFCCVEGCSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.40
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

Phenothrin
CID 4767
Fenoprofen
CID 3342
Fenoprofen Calcium
CID 64747
p-CRESYL PHENYLACETATE
CID 60997
Phenothrin, trans-(-)-
CID 91581
Anisyl phenylacetate
CID 7599
Cyclocumarol
CID 10606
(3-Methoxyphenyl)acetic acid
CID 15719
d-cis-Phenothrin
CID 187827
2-Methoxy-4-prop-1-enylphenyl phenylacetate
CID 61047
Eugenyl phenylacetate
CID 25238
3-Tolyl phenylacetate
CID 67146

Frequently Asked Questions

What is the IUPAC name of phenyl (2R)-2-(3-methoxyphenyl)propanoate?
The IUPAC name of phenyl (2R)-2-(3-methoxyphenyl)propanoate (CID 134969016) is phenyl (2R)-2-(3-methoxyphenyl)propanoate.
What is the SMILES notation for phenyl (2R)-2-(3-methoxyphenyl)propanoate?
The canonical SMILES for phenyl (2R)-2-(3-methoxyphenyl)propanoate is COc1cccc([C@@H](C)C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl (2R)-2-(3-methoxyphenyl)propanoate?
The InChIKey is DFNFQZSDUIZMOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(13-7-6-10-15(11-13)18-2)16(17)19-14-8-4-3-5-9-14/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of phenyl (2R)-2-(3-methoxyphenyl)propanoate?
phenyl (2R)-2-(3-methoxyphenyl)propanoate has a molecular weight of 256.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R)-2-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 134969016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).